GD035502

Name:

None

Formula:

C44H68O12

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC(=O)[C@@]23CC[C@H](C(C)C)[C@H]2[C@@H]2CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4207855
• CHEMBL4214631

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

AD05488

Formula: C30H50O3

Smiles:

CC(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.97
AlogP:	7.17	Num_rotatable_bonds:	2
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0