GD112329

Name:

None

Formula:

C33H48O11

Smiles:

CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000257350101

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

AD21868

Formula: C19H30O2

Smiles:

CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O

HBA:	2	RingCount:	4
HBD:	1	FractionCSP3:	0.95
AlogP:	3.96	Num_rotatable_bonds:	0
MolWt:	290.45	Num_heavy_atoms:	21
TPSA:	37.3	NumAromaticRings:	0