GD018282

Name:

None

Formula:

C66H78O24

Smiles:

CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1

Aglycone:

CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(O)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2O)c1.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL3187401

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

AD12929

Formula: C38H42O6

Smiles:

CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(O)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2O)c1

HBA:	6	RingCount:	4
HBD:	2	FractionCSP3:	0.32
AlogP:	7.99	Num_rotatable_bonds:	15
MolWt:	594.75	Num_heavy_atoms:	44
TPSA:	93.06	NumAromaticRings:	4