GD115676

Name:

None

Formula:

C66H108O31

Smiles:

C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OCC(O)C(OC4OC(CO)C(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5O)C4O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3)C(C)C

Aglycone:

C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C

Sugarmoiety:

OCC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0427282

AD05182

Formula: C31H50O3

Smiles:

C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.84
AlogP:	7.79	Num_rotatable_bonds:	6
MolWt:	470.74	Num_heavy_atoms:	34
TPSA:	57.53	NumAromaticRings:	0