GD033600

Name:

None

Formula:

C34H48O10

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2cc3c(cc2C(C)C)CC[C@@H]2C(C)(C)CCC[C@]32C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1CC2.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3343792

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

AD17130

Formula: C20H30O

Smiles:

CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1CC2

HBA:	1	RingCount:	3
HBD:	1	FractionCSP3:	0.7
AlogP:	5.55	Num_rotatable_bonds:	1
MolWt:	286.46	Num_heavy_atoms:	21
TPSA:	20.23	NumAromaticRings:	1