GD032685

Name:

None

Formula:

C32H48O17

Smiles:

C=C[C@@](C)(O)CCC=C(C)C(=O)OC[C@@H]1O[C@H](O[C@@H]2OC=C(C(=O)O[C@@H]3CO[C@](O)(CO)[C@H](O)[C@H]3O)[C@@H]3CC[C@@](C)(O)[C@H]23)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

C=CC(C)(O)CCC=C(C)C(=O)OC.CC1(O)CCC2C(C(=O)O)=COC(O)C21

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1(O)OCC(O)C(O)C1O

Other Identifiers

• CHEMBL4467289

AD10227

Formula: C10H14O5

Smiles:

CC1(O)CCC2C(C(=O)O)=COC(O)C21

HBA:	5	RingCount:	2
HBD:	3	FractionCSP3:	0.7
AlogP:	0.08	Num_rotatable_bonds:	1
MolWt:	214.22	Num_heavy_atoms:	15
TPSA:	86.99	NumAromaticRings:	0

AD16362

Formula: C11H18O3

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)OC

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.55
AlogP:	1.82	Num_rotatable_bonds:	5
MolWt:	198.26	Num_heavy_atoms:	14
TPSA:	46.53	NumAromaticRings:	0