Glycoside
GD038623
Name:
[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoateFormula:
C21H34O10N7PSmiles:
CC(C)(C)OC(=O)NCCCC[C@@H](N)C(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(N)CCCCNC(=O)OC(C)(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 575.52 | Num_heavy_atoms: | 39 |
| TPSA: | 256.49 | 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 |
AD24075
Formula: C12H25O7N2P
Smiles:
COP(=O)(O)OC(=O)C(N)CCCCNC(=O)OC(C)(C)C| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 340.31 | Num_heavy_atoms: | 22 |
| TPSA: | 137.18 | NumAromaticRings: | 0 |
