GD131963

Name:

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

Formula:

C43H74O32N2

Smiles:

CC(O)=NC(CO)C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)C(O)C(O)COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1

Aglycone:

CC(O)=NC1C(O)CC(C(=O)O)OC1C(O)C(O)CO.CC(O)=NCCO

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(CO)OC(OC(O)C(O)C(O)COO)C3OC3OC(C)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0301703

AD45321

Formula: C4H9O2N

Smiles:

CC(O)=NCCO

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.75
AlogP:	-0.04	Num_rotatable_bonds:	2
MolWt:	103.12	Num_heavy_atoms:	7
TPSA:	52.82	NumAromaticRings:	0

AD50447

Formula: C11H19O8N

Smiles:

CC(O)=NC1C(O)CC(C(=O)O)OC1C(O)C(O)CO

HBA:	9	RingCount:	1
HBD:	6	FractionCSP3:	0.82
AlogP:	-2.35	Num_rotatable_bonds:	5
MolWt:	293.27	Num_heavy_atoms:	20
TPSA:	160.04	NumAromaticRings:	0