Glycoside
GD030923
Name:
PHOSPHORIBOFURANOSYL TRIAZOLONEFormula:
C7H12O8N3PSmiles:
O=c1[nH]ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.O=c1[nH]cn[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 297.16 | Num_heavy_atoms: | 19 |
| TPSA: | 167.13 | 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 |
AD11852
Formula: C2H3ON3
Smiles:
O=c1[nH]cn[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 85.07 | Num_heavy_atoms: | 6 |
| TPSA: | 61.54 | NumAromaticRings: | 1 |
