GD110707

Name:

None

Formula:

C35H44O15

Smiles:

COC(=O)C1=CCC[C@H]2[C@](C)(C[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3ccoc3)[C@H]3C[C@H](OC3=O)[C@@]12C

Aglycone:

COC(=O)C1=CCCC2C(C)(CC(O)c3ccoc3)C3CC(OC3=O)C12C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000261492801

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

AD04244

Formula: C21H26O6

Smiles:

COC(=O)C1=CCCC2C(C)(CC(O)c3ccoc3)C3CC(OC3=O)C12C

HBA:	6	RingCount:	4
HBD:	1	FractionCSP3:	0.62
AlogP:	3.17	Num_rotatable_bonds:	4
MolWt:	374.43	Num_heavy_atoms:	27
TPSA:	85.97	NumAromaticRings:	1