Glycoside
GD133424
Name:
{[5-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acidFormula:
C8H12O9N3PSmiles:
O=c1nc(O)cnn1C1OC(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.O=c1nc(O)cn[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.17 | Num_heavy_atoms: | 21 |
| TPSA: | 184.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD48589
Formula: C3H3O2N3
Smiles:
O=c1nc(O)cn[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.08 | Num_heavy_atoms: | 8 |
| TPSA: | 78.87 | NumAromaticRings: | 1 |
