Glycoside
GD038031
Name:
5'-azido-8-[(2-{[2-(1h-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosineFormula:
C21H23O4N11SSmiles:
[N-]=[N+]=NC[C@H]1O[C@H](n2c(SCC(=O)NCCc3nc4ccccc4[nH]3)nc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1nc3ccccc3[nH]1)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.56 | Num_heavy_atoms: | 37 |
| TPSA: | 225.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD19037
Formula: C16H15ON8S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1nc3ccccc3[nH]1)[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.42 | Num_heavy_atoms: | 26 |
| TPSA: | 136.04 | NumAromaticRings: | 3 |
