Glycoside
GD125116
Name:
{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy(sulfanyl)phosphoryl]oxy})phosphinic acidFormula:
C10H15O9N5P2SSmiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(O)(O)=S)C(O)C1OAglycone:
COP(=O)(O)OP(O)(O)=S.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.27 | Num_heavy_atoms: | 27 |
| TPSA: | 215.53 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD24321
Formula: CH6O6P2S
Smiles:
COP(=O)(O)OP(O)(O)=S| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.07 | Num_heavy_atoms: | 10 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
