GD122218

Name:

None

Formula:

C51H89O16N

Smiles:

CCCCCCCCCCCCCCC(OC(C)=O)C(OC(C)=O)C(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O)N=C(O)C(CCCCCCCCCCCCC)OC(C)=O

Aglycone:

CCCCCCCCCCCCCCC(OC(C)=O)C(OC(C)=O)C(CO)N=C(O)C(CCCCCCCCCCCCC)OC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

• CNP0444762

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

AD49233

Formula: C39H73O8N

Smiles:

CCCCCCCCCCCCCCC(OC(C)=O)C(OC(C)=O)C(CO)N=C(O)C(CCCCCCCCCCCCC)OC(C)=O

HBA:	9	RingCount:	0
HBD:	2	FractionCSP3:	0.9
AlogP:	9.89	Num_rotatable_bonds:	33
MolWt:	684.01	Num_heavy_atoms:	48
TPSA:	131.72	NumAromaticRings:	0