GD117363

Name:

Butyroside D

Formula:

C57H90O29

Smiles:

CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(CO)C6C(O)CC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0423949

AD03100

Formula: C30H48O7

Smiles:

CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

HBA:	7	RingCount:	5
HBD:	6	FractionCSP3:	0.9
AlogP:	3.12	Num_rotatable_bonds:	2
MolWt:	520.71	Num_heavy_atoms:	37
TPSA:	138.45	NumAromaticRings:	0