GD136384

Name:

Prosapogenin-10

Formula:

C92H148O46

Smiles:

C=CC(C)(CCC=C(CO)C(=O)OC1CC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(OC4OC(CO)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C)OC1OC(C)C(O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)C(OC3C(O)OC(CO)C(O)C3O)OC(C)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0425339

AD45913

Formula: C40H62O7

Smiles:

C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

HBA:	7	RingCount:	5
HBD:	4	FractionCSP3:	0.8
AlogP:	7.39	Num_rotatable_bonds:	8
MolWt:	654.93	Num_heavy_atoms:	47
TPSA:	124.29	NumAromaticRings:	0