GD149322

Name:

Pisumsaponin I

Formula:

C51H80O21

Smiles:

CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(OC(=O)CC(=O)O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CC(OC(=O)CC(=O)O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0244251

AD59719

Formula: C33H52O6

Smiles:

CC1(C)CC(OC(=O)CC(=O)O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.88
AlogP:	6.14	Num_rotatable_bonds:	4
MolWt:	544.77	Num_heavy_atoms:	39
TPSA:	104.06	NumAromaticRings:	0