GD151811

Name:

Saponoside D

Formula:

C87H138O49

Smiles:

CC1OC(OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(C)C(OC7OCC(O)C(O)C7O)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6O)CCC45C)C3(C)C=O)C(O)C2OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(C(=O)O)OC(O)C(O)C2OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)C(O)OC(C)C2OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0094877

AD03275

Formula: C30H46O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	6.41	Num_rotatable_bonds:	2
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	74.6	NumAromaticRings:	0