Glycoside
GD038026
Name:
5'-azido-5'-deoxy-8-[(2-{[2-(1h-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosineFormula:
C22H24O4N10SSmiles:
[N-]=[N+]=NC[C@H]1O[C@H](n2c(SCC(=O)NCCc3c[nH]c4ccccc34)nc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1c[nH]c3ccccc13)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.57 | Num_heavy_atoms: | 37 |
| TPSA: | 212.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD19093
Formula: C17H16ON7S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1c[nH]c3ccccc13)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.43 | Num_heavy_atoms: | 26 |
| TPSA: | 123.15 | NumAromaticRings: | 3 |
