Glycoside
GD039194
Name:
2-amino-9-(6-deoxy-5-o-phosphono-beta-d-allofuranosyl)-3,9-dihydro-6h-purin-6-oneFormula:
C11H16O8N5PSmiles:
C[C@@H](OP(=O)(O)O)[C@H]1O[C@H](n2cnc3c(=O)nc(N)[nH]c32)[C@H](O)[C@@H]1OAglycone:
CCOP(=O)(O)O.Nc1nc(=O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 377.25 | Num_heavy_atoms: | 25 |
| TPSA: | 206.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD01192
Formula: C5H4ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD02591
Formula: C2H7O4P
Smiles:
CCOP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
