GD020717

Name:

None

Formula:

C67H94O26

Smiles:

COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3CO[C@H](O[C@H](CC[C@H](C)CO)[C@H](C)[C@@H]4[C@H](O[C@@H]5OC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6OC(=O)c6ccc(OC)cc6)[C@H](O)[C@H]5OC(C)=O)C[C@@H]5[C@@H]6CC=C7C[C@H](O)CC[C@@]7(C)[C@H]6CC[C@@]45C)[C@H](OC(C)=O)[C@H]3O)OC[C@H](O)[C@H]2O)cc1

Aglycone:

CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COc1ccc(C(=O)O)cc1.COc1ccc(C(=O)O)cc1

Sugarmoiety:

CC(=O)OC1C(O)OCC(OC2OCC(O)C(O)C2O)C1O.CC(=O)OC1C(O)OCC(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL1224291

AD01329

Formula: C8H8O3

Smiles:

COc1ccc(C(=O)O)cc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.12
AlogP:	1.39	Num_rotatable_bonds:	2
MolWt:	152.15	Num_heavy_atoms:	11
TPSA:	46.53	NumAromaticRings:	1

AD14263

Formula: C27H46O4

Smiles:

CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	0.93
AlogP:	4.3	Num_rotatable_bonds:	6
MolWt:	434.66	Num_heavy_atoms:	31
TPSA:	80.92	NumAromaticRings:	0