GD127173

Name:

None

Formula:

C49H83O17N3

Smiles:

C=C(CCCCCCCCCCCCCCCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(CCCC(O)=NC(C(=O)O)C(C)C)OC(C)=O)NC(CCCN)C(=O)O

Aglycone:

C=C(CCCCCCCCCCCCCCC)NC(CCCN)C(=O)O.CCCC(O)=NC(C(=O)O)C(C)C

Sugarmoiety:

CC(=O)OC(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

• CNP0429865

AD51435

Formula: C9H17O3N

Smiles:

CCCC(O)=NC(C(=O)O)C(C)C

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.78
AlogP:	1.85	Num_rotatable_bonds:	5
MolWt:	187.24	Num_heavy_atoms:	13
TPSA:	69.89	NumAromaticRings:	0

AD51490

Formula: C22H44O2N2

Smiles:

C=C(CCCCCCCCCCCCCCC)NC(CCCN)C(=O)O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.86
AlogP:	5.76	Num_rotatable_bonds:	20
MolWt:	368.61	Num_heavy_atoms:	26
TPSA:	75.35	NumAromaticRings:	0