Glycoside
GD015208
Name:
{[3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acidFormula:
C10H13O7N4PSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2cncnc2[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.21 | Num_heavy_atoms: | 22 |
| TPSA: | 160.05 | NumAromaticRings: | 2 |
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 |
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
