Glycoside
GD037934
Name:
2-[(e)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acidFormula:
C17H24O14N6P2Smiles:
CC(=NCC(=O)O)C(=O)[C@@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC(O)C(=O)C(C)=NCC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 13 |
| MolWt: | 598.36 | Num_heavy_atoms: | 39 |
| TPSA: | 308.56 | 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 |
AD23782
Formula: C8H15O11NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC(O)C(=O)C(C)=NCC(=O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 363.15 | Num_heavy_atoms: | 22 |
| TPSA: | 189.25 | NumAromaticRings: | 0 |
