Glycoside
GD138836
Name:
{[2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-(phosphonooxy)oxolan-3-yl]oxy}phosphonic acidFormula:
C10H15O10N5P2Smiles:
Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1OP(=O)(O)OAglycone:
Nc1ncnc2c1N=C[N]2.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.2 | Num_heavy_atoms: | 27 |
| TPSA: | 232.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
