GD126295

Name:

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

Formula:

C43H72O33N2

Smiles:

CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O

Aglycone:

COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1

Sugarmoiety:

CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0142754

AD46866

Formula: C12H21O9N

Smiles:

COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.83
AlogP:	-2.38	Num_rotatable_bonds:	6
MolWt:	323.3	Num_heavy_atoms:	22
TPSA:	169.27	NumAromaticRings:	0