Glycoside
GD039249
Name:
[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s,3s)-2-azanyl-3-methyl-pentanoateFormula:
C16H25O8N6PSmiles:
CC[C@H](C)[C@@H](N)C(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCC(C)C(N)C(=O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.38 | Num_heavy_atoms: | 31 |
| TPSA: | 218.16 | 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 |
AD24318
Formula: C7H16O5NP
Smiles:
CCC(C)C(N)C(=O)OP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 225.18 | Num_heavy_atoms: | 14 |
| TPSA: | 98.85 | NumAromaticRings: | 0 |
