GD120346

Name:

Acanthophylloside C

Formula:

C92H146O53

Smiles:

CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)OC8OC(CO)C(O)C(O)C8O)C(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)OC(C)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C(O)C3O)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(O)OC(C)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.O=C(OC1OC(CO)C(O)C(O)C1O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0424180

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