GD136246

Name:

None

Formula:

C56H102O22N2

Smiles:

CCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(CO)OC)O3)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCC(C)C

Aglycone:

CCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCC(C)C.COC(CO)C(O)C1OC(O)(C(=O)O)CC(O)C1N=C(O)CO

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0431863

AD53993

Formula: C12H21O10N

Smiles:

COC(CO)C(O)C1OC(O)(C(=O)O)CC(O)C1N=C(O)CO

HBA:	11	RingCount:	1
HBD:	7	FractionCSP3:	0.83
AlogP:	-3.4	Num_rotatable_bonds:	7
MolWt:	339.3	Num_heavy_atoms:	23
TPSA:	189.5	NumAromaticRings:	0

AD55066

Formula: C32H63O3N

Smiles:

CCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCC(C)C

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.91
AlogP:	9.48	Num_rotatable_bonds:	27
MolWt:	509.86	Num_heavy_atoms:	36
TPSA:	73.05	NumAromaticRings:	0