GD008040

Name:

None

Formula:

C36H40O17

Smiles:

COc1cc2c(c(OC)c1OC)-c1cc3c(cc1[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@@H]1COC(=O)[C@H]1C2)OCO3

Aglycone:

COC(C)=O.COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C(O)C1COC(=O)C1C2)OCO3

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL2029076

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD06471

Formula: C22H22O8

Smiles:

COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C(O)C1COC(=O)C1C2)OCO3

HBA:	8	RingCount:	5
HBD:	1	FractionCSP3:	0.41
AlogP:	2.49	Num_rotatable_bonds:	3
MolWt:	414.41	Num_heavy_atoms:	30
TPSA:	92.68	NumAromaticRings:	2