GD119235

Name:

Phaseoloside D

Formula:

C65H104O31

Smiles:

CC1OC(OCC2OC(OC3C(CO)OC(OC4C(OC5C(O)C(OC6CCC7(C)C(CCC8(C)C7CC=C7C9CC(C)(C)CCC9(C)C=CC78C)C6(C)CO)OC(C(=O)O)C5O)OCC(O)C4O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C)C=CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OCC2OC(OC3C(CO)OC(OC4C(OC5C(O)C(O)OC(C(=O)O)C5O)OCC(O)C4O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0106754

AD47735

Formula: C30H48O2

Smiles:

CC1(C)CCC2(C)C=CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	2	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	6.92	Num_rotatable_bonds:	1
MolWt:	440.71	Num_heavy_atoms:	32
TPSA:	40.46	NumAromaticRings:	0