Glycoside
GD119104
Name:
{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hexanoyloxy)phosphinic acidFormula:
C16H24O8N5PSmiles:
CCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OAglycone:
CCCCCC(=O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.37 | Num_heavy_atoms: | 30 |
| TPSA: | 192.14 | 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 |
AD47677
Formula: C7H15O5P
Smiles:
CCCCCC(=O)OP(=O)(O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 210.17 | Num_heavy_atoms: | 13 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
