Glycoside
GD038584
Name:
5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosineFormula:
C26H42O5N10SSmiles:
CCNC[C@H]1O[C@H](n2c(NCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)nc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(NCCCCNC(=O)CCCCC1SCC3NC(=O)NC31)[N]2Sugarmoiety:
CCNCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 15 |
| MolWt: | 606.75 | Num_heavy_atoms: | 42 |
| TPSA: | 213.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD24069
Formula: C19H28O2N9S
Smiles:
Nc1ncnc2c1N=C(NCCCCNC(=O)CCCCC1SCC3NC(=O)NC31)[N]2| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 446.56 | Num_heavy_atoms: | 31 |
| TPSA: | 160.52 | NumAromaticRings: | 1 |
