GD125698

Name:

Sarasinoside P

Formula:

C62H100O28N2

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2C3(O)CCC4(O)C(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)C3=CCC12C

Aglycone:

CC(C)=CC(=O)CC(C)C1CCC2C3(O)CCC4(O)C(C)(CCC(O)C4(C)C)C3=CCC12C

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

• CNP0271931

AD16122

Formula: C29H46O4

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2C3(O)CCC4(O)C(C)(CCC(O)C4(C)C)C3=CCC12C

HBA:	4	RingCount:	4
HBD:	3	FractionCSP3:	0.83
AlogP:	5.35	Num_rotatable_bonds:	4
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	77.76	NumAromaticRings:	0