GD145984

Name:

Perennisaponin B

Formula:

C71H112O31

Smiles:

CC(=O)OC1C(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(O)C(C)(CO)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)O)C2O)OC(C)C(OC2OCC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C1O

Aglycone:

CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC(C)CC(=O)O.CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC(=O)OC1C(OC2C(O)OC(C)C(O)C2O)OC(C)C(OC2OCC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0081456

AD10010

Formula: C30H48O6

Smiles:

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

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.9
AlogP:	4.15	Num_rotatable_bonds:	2
MolWt:	504.71	Num_heavy_atoms:	36
TPSA:	118.22	NumAromaticRings:	0

AD47144

Formula: C16H26O9

Smiles:

CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC(C)CC(=O)O

HBA:	9	RingCount:	0
HBD:	2	FractionCSP3:	0.75
AlogP:	0.81	Num_rotatable_bonds:	11
MolWt:	362.38	Num_heavy_atoms:	25
TPSA:	136.43	NumAromaticRings:	0