GD146939

Name:

3-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-5-(N-methylacetamido)oxan-2-yl)methoxy]-4-acetamido-2,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula:

C44H74O34N2

Smiles:

CC(=O)N(C)C1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(COC2C(N=C(C)O)C(O)C(C(O)C(O)CO)OC2(O)C(=O)O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

CNC(C)=O.OCC(O)CO

Sugarmoiety:

CC(O)=NC1C(O)C(C(O)C(O)CO)OC(O)(C(=O)O)C1OCC1OC(OOC(O)C(OOCO)OC2C(CO)OC(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0329657

AD00405

Formula: C3H8O3

Smiles:

OCC(O)CO

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.67	Num_rotatable_bonds:	2
MolWt:	92.09	Num_heavy_atoms:	6
TPSA:	60.69	NumAromaticRings:	0

AD01019

Formula: C3H7ON

Smiles:

CNC(C)=O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	-0.25	Num_rotatable_bonds:	0
MolWt:	73.09	Num_heavy_atoms:	5
TPSA:	29.1	NumAromaticRings:	0