GD121992

Name:

Eranthisaponin B

Formula:

C83H136O45

Smiles:

CC1OC(OC2C(CO)OC(OCC3OC(OC4C(C)OC(OC5C(CO)OC(OCC6OC(OC(=O)C78CCC(C)(C)CC7C7=CCC9C%10(C)CCC(OC%11OCC(OC%12OC(CO)C(O)C(O)C%12O)C(O)C%11OC%11OC(C)C(O)C(O)C%11O)C(C)(CO)C%10CCC9(C)C7(C)CC8)C(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(OC4C(C)OC(OC5C(CO)OC(OCC6OC(O)C(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0192571

AD00356

Formula: C30H48O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.21	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0