Glycoside

GD131482
Name:
[3,4-bis(acetyloxy)-5-(5-acetamido-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl)oxolan-2-yl]methyl acetateFormula:
C16H20O9N4Smiles:
CC(=O)OCC1OC(n2ncc(N=C(C)O)nc2=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(O)=Nc1cn[nH]c(=O)n1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
HBA: | 13 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.56 |
AlogP: | -0.43 | Num_rotatable_bonds: | 6 |
MolWt: | 412.36 | Num_heavy_atoms: | 29 |
TPSA: | 168.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD53267
Formula: C5H6O2N4
Smiles:
CC(O)=Nc1cn[nH]c(=O)n1HBA: | 6 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.2 |
AlogP: | -0.23 | Num_rotatable_bonds: | 1 |
MolWt: | 154.13 | Num_heavy_atoms: | 11 |
TPSA: | 91.23 | NumAromaticRings: | 1 |