SANC00944 1,2,3,6-Tetragalloylglucose




Analog ID Simularity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-046-588-213 1 CCCCCCCC\C=C/CCCCCCCCCC(N)=O
MolPort-035-944-162 1 CCCCCCCCC=CCCCCCCCCCCCC(N)=O
MolPort-046-588-213 1 CCCCCCCC\C=C/CCCCCCCCCC(N)=O
MolPort-046-588-205 1 CCCCCC\C=C/CCCCCCCC(N)=O
MolPort-003-983-653 1 CCCCCCCC\C=C/CCCCCCCC(N)=O
MolPort-035-944-162 1 CCCCCCCCC=CCCCCCCCCCCCC(N)=O
MolPort-003-929-108 1 CCCCCCCC\C=C/CCCCCCCCCCCC(N)=O
MolPort-000-881-892 1 CCCCCCCC\C=C\CCCCCCCC(N)=O
MolPort-046-588-205 1 CCCCCC\C=C/CCCCCCCC(N)=O
MCULE-4529109860 1 C1=C(C(O)=C(C=C1C(OC[C@@H]1[C@@H](O)[C@H](OC(=O)C2C=C(O)C(O)=C(O)C=2)[C@@H](OC(=O)C2C=C(C(=C(O)C=2)O)O)[C@H](OC(=O)C2C=C(O)C(O)=C(O)C=2)O1)=O)O)O
MCULE-1578922536 1 O([C@H]1[C@H](O)[C@@H](OC(=O)C2C=C(O)C(O)=C(O)C=2)[C@@H]([C@@H](COC(=O)C2C=C(O)C(O)=C(O)C=2)O1)O)C(=O)C1C=C(O)C(=C(C=1)O)O
MCULE-3599077747 1 C1=C(C(=C(O)C=C1C(=O)O[C@@H]1O[C@H](COC(=O)C2C=C(O)C(O)=C(O)C=2)[C@@H](OC(=O)C2C=C(O)C(O)=C(O)C=2)[C@H](OC(=O)C2C=C(O)C(=C(C=2)O)O)[C@H]1OC(=O)C1C=C(C(=C(O)C=1)O)O)O)O
MCULE-1101767447 1 [C@H]1(COC(=O)C2C=C(O)C(O)=C(O)C=2)O[C@@H](OC(=O)C2C=C(O)C(O)=C(O)C=2)[C@H](OC(=O)C2C=C(O)C(O)=C(O)C=2)[C@@H](O)[C@@H]1OC(=O)C1C=C(O)C(O)=C(O)C=1
MCULE-8600766537 1 C1C(O)=C(O)C(O)=CC=1C(OC[C@H]1O[C@@H](OC(C2C=C(O)C(O)=C(O)C=2)=O)[C@H](OC(C2C=C(O)C(O)=C(O)C=2)=O)[C@@H](OC(C2C=C(O)C(O)=C(O)C=2)=O)[C@@H]1OC(C1C=C(O)C(O)=C(O)C=1)=O)=O
MCULE-9930372113 1 O([C@H]1[C@H](OC(=O)C2=CC(=C(O)C(=C2)O)O)O[C@H](CO)[C@@H](OC(=O)C2=CC(=C(O)C(=C2)O)O)[C@@H]1OC(=O)C1=CC(=C(O)C(=C1)O)O)C(=O)C1=CC(=C(O)C(=C1)O)O
MCULE-9027372922 0.99 O(C(=O)C1=CC(O)=C(O)C(O)=C1)C1C(C(C(O)C(O1)COC(=O)C1C=C(O)C(O)=C(O)C=1)O)O
MCULE-9071584094 0.99 O=C(C1=CC(=C(O)C(=C1)O)O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@H]1OC(=O)C1=CC(=C(O)C(=C1)O)O
MCULE-1804639983 0.97 O(C(=O)C1C=CC(O)=C(O)C=1)[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)COC(=O)C1C=CC(O)=C(O)C=1)O
MolPort-044-561-805 0.89 CCCCC\C=C/C\C=C/CCCCCCCC(N)=O
MolPort-044-561-805 0.89 CCCCC\C=C/C\C=C/CCCCCCCC(N)=O
MCULE-2357415168 0.88 C1(CO)OC(OC(=O)C2C=C(OC)C(OC)=C(O)C=2)C(C(C1O)O)O
MCULE-3090774059 0.88 C1(OC)C=C(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C(OC)C=1O
MCULE-6688782614 0.87 C1(C=C(C=C(C=1OC)OC)C(=O)OC1OC(CO)C(O)C(O)C1O)OC
MCULE-6772619613 0.87 C1C=C(OC)C(OC)=CC=1C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
MolPort-000-249-276 0.85 CC1=CCC(CC(N)=O)C1(C)C
MCULE-5047957651 0.85 O=C(C1C=CC=CC=1)OC[C@H]1O[C@H](OC(=O)C2C=CC=CC=2)[C@H](OC(=O)C2C=CC=CC=2)[C@@H](OC(=O)C2C=CC=CC=2)[C@@H]1OC(=O)C1C=CC=CC=1
MCULE-5087125913 0.85 [C@H]1(OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](O[C@H](OC(=O)C2C=CC=CC=2)[C@@H]1OC(=O)C1=CC=CC=C1)COC(=O)C1=CC=CC=C1
MCULE-2716291781 0.85 [C@H]1(OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H](O[C@@H](OC(=O)C2C=CC=CC=2)[C@@H]1OC(=O)C1=CC=CC=C1)COC(=O)C1=CC=CC=C1
MCULE-4077657493 0.85 [C@H]1(OC(=O)C2=CC=CC=C2)O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1
MCULE-8296576831 0.83 [C@H]1(OC(=O)C2C=C(C(O)=C(OC(=O)C3=CC(=C(O)C(O)=C3)O)C=2)O)[C@H](OC(=O)C2C=C(C(O)=C(OC(=O)C3C=C(C(O)=C(O)C=3)O)C=2)O)[C@H](O[C@@H](OC(=O)C2C=C(C(O)=C(OC(=O)C3=CC(=C(O)C(O)=C3)O)C=2)O)[C@@H]1OC(=O)C1C=C(C(O)=C(OC(=O)C2=CC(=C(O)C(O)=C2)O)C=1)O)COC(=O)C1C=C(C(O)=C(OC(=O)C2=CC(=C(O)C(O)=C2)O)C=1)O
MCULE-7837460673 0.83 [C@H]1(OC(=O)C2=CC=C(C=C2)C)[C@H](OC(=O)C2C=CC(=CC=2)C)O[C@@H]([C@@H](OC(=O)C2C=CC(=CC=2)C)[C@@H]1OC(=O)C1C=CC(=CC=1)C)COC(=O)C1=CC=C(C=C1)C
MCULE-7503036310 0.83 O(CC1C=CC=CC=1)C1COC(C(C1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(C1C=CC=CC=1)=O
MCULE-8068588180 0.83 [C@@H]1(OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)CO[C@@H](OC(=O)C2C=CC=CC=2)[C@H]1OC(=O)C1C=CC=CC=1
MCULE-9596774025 0.83 OC1C(O)=C(O)C=C(C(OC2C(O)=C(O)C=C(C(OCC3C(OC(C4C=C(OC(C5C=C(O)C(O)=C(O)C=5)=O)C(O)=C(O)C=4)=O)C(OC(C4C=C(OC(C5C=C(O)C(O)=C(O)C=5)=O)C(O)=C(O)C=4)=O)C(OC(C4C=C(OC(C5C=C(O)C(O)=C(O)C=5)=O)C(O)=C(O)C=4)=O)C(OC(C4C=C(OC(C5C=C(O)C(O)=C(O)C=5)=O)C(O)=C(O)C=4)=O)O3)=O)C=2)=O)C=1
MCULE-3805588228 0.83 [C@H]1(COC(=O)C2C=C(O)C(O)=C(OC(C3C=C(O)C(O)=C(O)C=3)=O)C=2)O[C@@H](OC(C2C=C(O)C(O)=C(OC(=O)C3C=C(O)C(O)=C(O)C=3)C=2)=O)[C@H](OC(=O)C2C=C(O)C(O)=C(OC(=O)C3C=C(O)C(O)=C(O)C=3)C=2)[C@@H](OC(=O)C2C=C(O)C(O)=C(OC(C3C=C(O)C(O)=C(O)C=3)=O)C=2)[C@@H]1OC(=O)C1C=C(O)C(O)=C(OC(C2C=C(O)C(O)=C(O)C=2)=O)C=1
MCULE-9473599094 0.83 C(C1C=CC=CC=1)(=O)OC1C(C(C(OC(C2C=CC=CC=2)=O)OC1)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O
MolPort-006-119-471 0.82 CCCCCCCC\C=C/CCCCCCCC(=O)NO
MCULE-2018241886 0.82 [C@H]1(OC(=O)C2C=CC=C(C)C=2)[C@H](OC(=O)C2C=CC=C(C)C=2)O[C@@H]([C@@H](OC(=O)C2=CC=CC(C)=C2)[C@@H]1OC(=O)C1=CC=CC(C)=C1)COC(=O)C1=CC=CC(C)=C1
MCULE-3944673517 0.82 O1C(OC(C2C=CC=CC=2)=O)C2OC(C)(C)OC2C(OC(=O)C)C1
MCULE-4037511740 0.81 O(C1C(O)(CC(C)(C)O)C(=O)C(C)(C)C(=O)C1(C)C)[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)COC(=O)C1C=C(C(=C(O)C=1)O)O)O
MCULE-3057212959 0.81 OC[C@H]1O[C@@H](OC(C2=CC=CC(OC)=C2O)=O)[C@H](O)[C@@H](O)[C@@H]1O
MCULE-9277555940 0.81 C1(=C(O)C(=CC(C(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C3=CC=CC=C3)O2)=C1)O)O
MCULE-5754508015 0.81 C[C@]1([C@@]([C@@](COC(C2=CC=CC=C2)=O)(O[C@]1(OC(C1=CC=CC=C1)=O)[H])[H])(OC(C1=CC=CC=C1)=O)[H])OC(C1=CC=CC=C1)=O
MCULE-7651570099 0.81 [C@H]1(COC(=O)C2C=CC(O)=C(OC)C=2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MCULE-6783861516 0.81 O1[C@H]([C@@](C)([C@@H]([C@H]1COC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O
MCULE-3161184905 0.81 [C@H]1(COC(C2C=CC(O)=CC=2)=O)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MCULE-8882631680 0.81 C(O[C@]1(C)[C@H](OC(=O)C2=CC=CC=C2)[C@@H](COC(=O)C2=CC=CC=C2)O[C@H]1OC(=O)C1=CC=CC=C1)(=O)C1=CC=CC=C1
MCULE-2085273740 0.80 C1(O)C=C(C(=O)O[C@H]2CO[C@H](COC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O)[C@@H]2O)C=C(O)C=1O
MCULE-7460215236 0.80 [C@H]1(OC(=O)C2=CC=C(C=C2)CC)[C@@H](OC(=O)C2C=CC(=CC=2)CC)O[C@@H]([C@@H](OC(=O)C2C=CC(=CC=2)CC)[C@@H]1OC(=O)C1C=CC(=CC=1)CC)COC(=O)C1=CC=C(C=C1)CC
MCULE-7419964413 0.80 C1(OC(C2C=CC=CC=2)=O)OC(C(OC(C2C=CC=CC=2)=O)C1O)COC(C1C=CC=CC=1)=O
MCULE-4290059486 0.80 O(C(=O)C1=CC=CC=C1)[C@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H]1O
MCULE-9235234212 0.80 C1(OC(C)=O)C(OC(C)=O)OC(C(OC(C)=O)C1OC(C)=O)COC1OC(C(OC(C2C=CC=CC=2)=O)C1OC(C1=CC=CC=C1)=O)COC(C1C=CC=CC=1)=O
MCULE-8715504163 0.80 O[C@@H]1[C@H](OC(C2C=CC=CC=2)=O)[C@@H](COC(C2C=CC=CC=2)=O)O[C@@H]1OC(C1C=CC=CC=1)=O
MCULE-2555073066 0.80 C(/C=C/C1=CC=C(C=C1)O)(OCC1C(O)C(O)C(O)C(OC(C2=CC(=C(O)C(O)=C2)O)=O)O1)=O
MCULE-2853734084 0.80 O1C(OCC2C=CC=CC=2)C(OC(C2C=CC=CC=2)=O)C(OC(C2C=CC=CC=2)=O)C(OC(C2C=CC=CC=2)=O)C1
MCULE-1685261252 0.80 C1(O)C=C(C(=O)OC[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C=C(O)C=1O
MolPort-002-488-538 0.78 CC1(CC2CC1C=C2)C(N)=O
MolPort-001-762-364 0.78 NC(=O)C1CC2CC1C=C2
MCULE-2305483733 0.78 [C@H]1(OC(C2C=CC=CC=2)=O)[C@@H](O)[C@@H](COC(C2C=CC=CC=2)=O)O[C@H](OC)[C@@H]1OC(C1=CC=CC=C1)=O
MCULE-1764144877 0.78 [C@H]1(OC(=O)C)[C@H](OC(=O)C)[C@H](O[C@@H](OCC2C=CC=CC=2)[C@@H]1OC(=O)C)COC(=O)C
MCULE-2744392775 0.78 [C@H]1(OC(C2C=CC=CC=2)=O)[C@H](O)[C@@H](COC(C2=CC=CC=C2)=O)O[C@@H](OC)[C@@H]1OC(C1C=CC=CC=1)=O
MCULE-3022462270 0.78 O1C(OC(=O)C)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H](OC(=O)C)[C@H]1COC(=O)C
MCULE-3569332620 0.78 OC[C@]1(O[C@@]([C@](OC(C2=CC=CC=C2)=O)([C@@](OC(C2=CC=CC=C2)=O)([C@@]1(OC(C1=CC=CC=C1)=O)[H])[H])[H])(OC)[H])[H]
MCULE-6891348533 0.78 C1(C)C(OC(C2C=CC=CC=2)=O)C(OC(C2C=CC=CC=2)=O)C(OC(C2C=CC=CC=2)=O)C(OC)O1
MCULE-9357796401 0.78 C12OC(OC1C(OC(C)C2OC(C1=CC=CC=C1)=O)OC)(C)C
MCULE-8069779125 0.78 [C@@H]1(OC(C2=CC=CC=C2)=O)[C@@H](OC)O[C@@H]([C@H](OC(C2C=CC=CC=2)=O)[C@@H]1O)COC(C1C=CC=CC=1)=O
MCULE-7025761516 0.78 C1([H])(OC(C2=CC=CC=C2)=O)C2([H])C([H])(COC([H])(C3=CC=CC=C3)O2)OC([H])(OC)C1([H])OC(C1C=CC=CC=1)=O
MCULE-5990174889 0.78 C(C)(=O)OC1C(CO)OC(C(C1OC(C)=O)OC(C)=O)OCC1C=CC=CC=1
MCULE-6275830354 0.78 C1([H])(OC(C2C=CC=CC=2)=O)C([H])(OC(C2=CC=CC=C2)=O)C([H])(COC(C2C=CC=CC=2)=O)OC([H])(OC)C1([H])OC(C1C=CC=CC=1)=O
MCULE-2510232829 0.77 O1[C@H](COC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC(C)=O
MCULE-9864900508 0.77 C1(OC(C2=CC=CC=C2)=O)C(OC(C2=CC=CC=C2)=O)C(OC1OC(C)=O)COC(C1C=CC=CC=1)=O
MCULE-6258559160 0.77 [C@H]1(OC(C2C=CC=CC=2)=O)[C@@H](OC(C2=CC=CC=C2)=O)[C@H](COC(C2=CC=CC=C2)=O)O[C@@H]1OC(C)=O
MCULE-3831629888 0.77 [C@H]1(OC(C2C=CC=CC=2)=O)[C@@H](OC(C2=CC=CC=C2)=O)[C@H](COC(C2=CC=CC=C2)=O)O[C@@H]1OC(C)=O
MCULE-3866829330 0.77 O1[C@H]([C@@H]([C@@H]([C@H]1COC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)OC(C)=O
MCULE-7529140781 0.77 [C@@H]1(OC(=O)C2C=CC=CC=2)[C@@H](O)[C@@H]([C@@H](COC(=O)C2=CC=CC=C2)O[C@@H]1OC)O
MCULE-4466573498 0.77 [C@H]1(O)[C@@H](COC(=O)C2C=CC=CC=2)O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)OC2)[C@H](O)[C@H]1O
MCULE-1907013833 0.77 O1[C@@H](OC(=O)C)[C@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1COC(=O)C1=CC=CC=C1
MCULE-6732260811 0.77 O1[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC)[C@H]1COC(=O)C1=CC=CC=C1
MCULE-9591474003 0.77 [C@@H]12O[C@@H](OC[C@H]1O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)C1=CC=CC=C1
MolPort-022-880-989 0.77 O=C1CCCCCCC\C=C/CCCCCCC1
MolPort-003-938-905 0.77 CCCCCCCC\C=C/CCCCCCCCN
MolPort-006-131-526 0.77 CCCC\C=C/CCCCCCCCCCCC=O
MolPort-006-133-633 0.77 CCCCCC\C=C/CCCCCC=O
MolPort-022-880-989 0.77 O=C1CCCCCCC\C=C/CCCCCCC1
MolPort-003-928-545 0.77 CCCC\C=C/CCCCCCCCCC=O
MCULE-4748991928 0.77 [C@@H]1(O[C@@H]2O[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)COC(=O)C)[C@@H](COC(=O)C)O[C@@H](OCC2C=CC=CC=2)[C@H](OC(=O)C)[C@H]1OC(=O)C
MCULE-1452827925 0.76 [C@H]1(OC(=O)C2=CC=CC(F)=C2)[C@@H](OC(=O)C2C=CC=C(F)C=2)O[C@@H]([C@@H](OC(=O)C2=CC=CC(F)=C2)[C@@H]1OC(=O)C1=CC=CC(F)=C1)COC(=O)C1=CC=CC(F)=C1
MCULE-2754153289 0.76 C1C(C)(C)C(CCC(OC2C(O)C(O)C(O)C(COC(C3C=C(O)C(O)=C(O)C=3)=O)O2)C)C(C)=CC1=O
MCULE-4776536484 0.76 C1(C2O[C@@H]3[C@@H](CO2)OC(OC(=O)C)C[C@H]3OC(=O)C)=CC=CC=C1
MCULE-6442220878 0.76 C([C@]12[C@@]3([H])O[C@]4(O)C[C@](C)(O3)[C@]1(C[C@]24[H])O[C@@]1([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)OC(C1C=CC(O)=CC=1)=O
MolPort-009-019-053 0.76 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(N)=O
MolPort-009-018-954 0.76 CCCCCCCC\C=C/CCCCCCCC(=O)NCC
MCULE-5716333781 0.75 C12OC(OC1OC(C1OC(C)(C)OC21)COC(C1C=CC=CC=1)=O)(C)C
MCULE-3790324981 0.75 C1(C(COC(C2=CC=CC=C2)=O)OC(C2C=CC=CC=2)=O)OC(OC1C(COC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)(C)C
MCULE-5010535585 0.75 C12OC(OC1C(C(OC(C1C=CC=CC=1)=O)C(OC(C1C=CC=CC=1)=O)C2OCC1C=CC=CC=1)OCC1C=CC=CC=1)(C)C
MCULE-9803711055 0.75 OC1=C2C3=C(O)C(O)=C(O)C=C3C(=O)OC[C@@H]3[C@H](O)[C@H]([C@H](O)[C@@H](O3)OC(=O)C3C=C(O)C(O)=C(O)C=3)OC(=O)C2=CC(O)=C1O
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