GD119145

Name:

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

Formula:

C37H62O29N2

Smiles:

CC(O)=NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)C(N=C(C)O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO

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)C3O)C2O)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0222655

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