Glycoside
GD038982
Name:
2-amino-5-{[amino({5-[({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl}amino)methylidene]amino}pentanoic acidFormula:
C21H35O15N9P2Smiles:
N=C(NCCC[C@@H](N)C(=O)O)N[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC.N=C(N)NCCCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.67 |
| AlogP: | -3.97 | Num_rotatable_bonds: | 15 |
| MolWt: | 715.51 | Num_heavy_atoms: | 47 |
| TPSA: | 382.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
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 |
AD24217
Formula: C6H14O2N4
Smiles:
N=C(N)NCCCC(N)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 174.2 | Num_heavy_atoms: | 12 |
| TPSA: | 125.22 | NumAromaticRings: | 0 |
