Glycoside
GD134226
Name:
(5-{5-[(carbamoylmethyl)amino]-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl}-3,4-dihydroxyoxolan-2-yl)methyl benzoateFormula:
C17H19O7N5Smiles:
N=C(O)CN=c1cnn(C2OC(COC(=O)c3ccccc3)C(O)C2O)c(O)n1Aglycone:
COC(=O)c1ccccc1.N=C(O)CN=C1C=N[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.37 | Num_heavy_atoms: | 29 |
| TPSA: | 183.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD54302
Formula: C5H6O2N5
Smiles:
N=C(O)CN=C1C=N[N]C(O)=N1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.14 | Num_heavy_atoms: | 12 |
| TPSA: | 115.49 | NumAromaticRings: | 0 |
