Glycoside
GD038030
Name:
5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosineFormula:
C22H23O4N9SSmiles:
C#Cc1cccc(CCNC(=O)CSc2nc3c(N)ncnc3n2[C@H]2O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H]2O)c1Aglycone:
C#Cc1cccc(CCNC(=O)CSC2=Nc3c(N)ncnc3[N]2)c1Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 509.55 | Num_heavy_atoms: | 36 |
| TPSA: | 197.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD18496
Formula: C17H15ON6S
Smiles:
C#Cc1cccc(CCNC(=O)CSC2=Nc3c(N)ncnc3[N]2)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.42 | Num_heavy_atoms: | 25 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
