Glycoside
GD147440
Name:
{[4-hydroxy-2-(hydroxymethyl)-5-[6-(methylamino)-9H-purin-9-yl]oxolan-3-yl]oxy}phosphonic acidFormula:
C11H16O7N5PSmiles:
CNc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1OAglycone:
CNc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 361.25 | Num_heavy_atoms: | 24 |
| TPSA: | 172.08 | 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 |
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
