GD126107

Name:

Agminoside B

Formula:

C83H130O47

Smiles:

CCCC(CCCCCCCCCCCCCCCCOCC(OC(C)=O)C(=O)O)OC1OC(CO)C(OC2OC(COC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC3OC(COC(C)=O)C(O)C(O)C3OC3OC(COC(C)=O)C(O)C(O)C3O)C(OC(C)=O)C2OC(C)=O)C(O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O

Aglycone:

CCCC(O)CCCCCCCCCCCCCCCCOCC(OC(C)=O)C(=O)O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OC(OC2C(OC3OOC(O)OC3OC3C(O)OC(OC4C(CO)OC(O)C(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5O)C4O)C(OC(C)=O)C3OC(C)=O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0368298

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD48730

Formula: C25H48O6

Smiles:

CCCC(O)CCCCCCCCCCCCCCCCOCC(OC(C)=O)C(=O)O

HBA:	6	RingCount:	0
HBD:	2	FractionCSP3:	0.92
AlogP:	6.03	Num_rotatable_bonds:	23
MolWt:	444.65	Num_heavy_atoms:	31
TPSA:	93.06	NumAromaticRings:	0