GD146836

Name:

2-({6-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]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:

C37H62O29N2

Smiles:

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

Other Identifiers

• CNP0046553

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