Glycoside
GD038027
Name:
5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosineFormula:
C20H22O4N9SBrSmiles:
[N-]=[N+]=NC[C@H]1O[C@H](n2c(SCC(=O)NCCc3cccc(Br)c3)nc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1cccc(Br)c1)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.43 | Num_heavy_atoms: | 35 |
| TPSA: | 197.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD22011
Formula: C15H14ON6SBr
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1cccc(Br)c1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.29 | Num_heavy_atoms: | 24 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
