Glycoside
GD039021
Name:
[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(4as,10ar)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphateFormula:
C27H37O15N9P2Smiles:
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)[C@H]1NC(=O)NC(=O)[C@H]1N2Aglycone:
COP(=O)(O)O[PH](=O)O.Cc1cc2c(cc1C)N(C)C1NC(=O)NC(=O)C1N2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 789.59 | Num_heavy_atoms: | 53 |
| TPSA: | 355.76 | NumAromaticRings: | 3 |
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 |
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD24241
Formula: C13H16O2N4
Smiles:
Cc1cc2c(cc1C)N(C)C1NC(=O)NC(=O)C1N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.3 | Num_heavy_atoms: | 19 |
| TPSA: | 73.47 | NumAromaticRings: | 1 |
