Glycoside
GD127499
Name:
[({[5-(6-amino-8,9-dihydro-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acidFormula:
C10H17O10N5P2Smiles:
Nc1ncnc2c1NCN2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1NCN2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.22 | Num_heavy_atoms: | 27 |
| TPSA: | 230.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD24777
Formula: C5H7N5
Smiles:
Nc1ncnc2c1NCN2| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.15 | Num_heavy_atoms: | 10 |
| TPSA: | 75.86 | NumAromaticRings: | 1 |
