Glycoside
GD039143
Name:
[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r)-1-{(2s,3s,4r,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl}propan-2-yl hydrogen (r)-phosphate (non-preferred name)Formula:
C20H32O13N5PSmiles:
C[C@H](C[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -3.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 581.47 | Num_heavy_atoms: | 39 |
| TPSA: | 285.45 | 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 |
AD02679
Formula: C4H11O4P
Smiles:
COP(=O)(O)OC(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 154.1 | Num_heavy_atoms: | 9 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
