GD125244

Name:

Sarasinoside M

Formula:

C62H98O27N2

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6N=C(C)O)C(O)C5OC5OC(COC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5N=C(C)O)C4(C)C)C(=CCC21C)O3

Aglycone:

CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(CCC(O)C4(C)C)C(=CCC21C)O3

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

• CNP0333486

AD00359

Formula: C29H44O3

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(CCC(O)C4(C)C)C(=CCC21C)O3

HBA:	3	RingCount:	4
HBD:	1	FractionCSP3:	0.76
AlogP:	7.12	Num_rotatable_bonds:	4
MolWt:	440.67	Num_heavy_atoms:	32
TPSA:	46.53	NumAromaticRings:	0