GD150176

Name:

Eryloside Q

Formula:

C63H102O30

Smiles:

CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OCC(O)C(OC4OCC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5O)C(O)C4O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3

Aglycone:

CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3

Sugarmoiety:

OCC1OC(OC2C(O)OCC(O)C2OC2OCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0305135

AD15778

Formula: C30H48O3

Smiles:

CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.83
AlogP:	7.54	Num_rotatable_bonds:	5
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0