GD142149

Name:

piptadeniaoside

Formula:

C74H119O37N

Smiles:

CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(OC6OCC(O)(CO)C6O)C(O)C5OC5OCC(O)C(OC6OCC(O)(CO)C6O)C5O)CCC34C)C2(C)C)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C1OC1OCC(O)(CO)C1O

Other Identifiers

• CNP0463682

AD00086

Formula: C30H48O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0