GD031978

Name:

None

Formula:

C47H68O15

Smiles:

COc1ccc(C(=O)OC2C(OC3C(O)COC(O[C@@H]4CC5C6CC=C7C[C@H](O)CC[C@@]7(C)C6CC([C@H](C)C(=O)CCC(C)C)[C@@]5(C)[C@H]4O)C3OC(C)=O)OCC(O)C2O)cc1

Aglycone:

CC(C)CCC(=O)C(C)C1CC2C(CC=C3CC(O)CCC32C)C2CC(O)C(O)C12C.COc1ccc(C(=O)O)cc1

Sugarmoiety:

CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

• CHEMBL262508

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

AD20549

Formula: C27H44O4

Smiles:

CC(C)CCC(=O)C(C)C1CC2C(CC=C3CC(O)CCC32C)C2CC(O)C(O)C12C

HBA:	4	RingCount:	4
HBD:	3	FractionCSP3:	0.89
AlogP:	4.51	Num_rotatable_bonds:	5
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	77.76	NumAromaticRings:	0