GD024776

Name:

None

Formula:

C39H42O19

Smiles:

CC(=O)OC[C@@H]1O[C@H](OCCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=C[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)OCC1OC(OCCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=CC1O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1641646

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

AD16505

Formula: C25H24O10

Smiles:

CC(=O)OCC1OC(OCCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=CC1O

HBA:	10	RingCount:	4
HBD:	3	FractionCSP3:	0.28
AlogP:	2.47	Num_rotatable_bonds:	8
MolWt:	484.46	Num_heavy_atoms:	35
TPSA:	144.89	NumAromaticRings:	3