GD133923

Name:

Pursaethoside D

Formula:

C64H103O31N

Smiles:

CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(OC6OCC(O)(CO)C6O)C(O)C5OC5OCC(O)(CO)C5O)C(O)C(O)C34C)C2(C)C)OC(COC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:

CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OC1OCC(O)(CO)C1O

Other Identifiers

• CNP0425159

AD15264

Formula: C30H48O5

Smiles:

CC1(C)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.9
AlogP:	5.18	Num_rotatable_bonds:	1
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	97.99	NumAromaticRings:	0