GD127125

Name:

Sarasinoside J

Formula:

C62H102O27N2

Smiles:

CC(O)=NC1C(OC2COC(OC3CCC4(C)C5=C(CCC4C3(C)C)C3CCC(C(C)CC(=O)CC(C)(C)O)C3(C)CC5)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O

Aglycone:

CC(CC(=O)CC(C)(C)O)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3

Sugarmoiety:

CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CNP0338663

AD15982

Formula: C29H48O3

Smiles:

CC(CC(=O)CC(C)(C)O)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.9
AlogP:	6.46	Num_rotatable_bonds:	5
MolWt:	444.7	Num_heavy_atoms:	32
TPSA:	57.53	NumAromaticRings:	0