Glycoside
GD039371
Name:
2-(4-dodecyl-1h-1,2,3-triazol-1-yl)-5'-o-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosineFormula:
C31H43O8N9SSmiles:
CCCCCCCCCCCCc1cn(-c2nc(N)c3ncn([C@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@H](O)[C@@H]4O)c3n2)nn1Aglycone:
CCCCCCCCCCCCc1cn(-c2nc(N)c3c(n2)[N]C=N3)nn1.COS(=O)(=O)NC(=O)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 18 |
| MolWt: | 701.81 | Num_heavy_atoms: | 49 |
| TPSA: | 242.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD00564
Formula: C8H9O5NS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.23 | Num_heavy_atoms: | 15 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
AD03705
Formula: C19H29N8
Smiles:
CCCCCCCCCCCCc1cn(-c2nc(N)c3c(n2)[N]C=N3)nn1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 369.5 | Num_heavy_atoms: | 27 |
| TPSA: | 108.97 | NumAromaticRings: | 2 |
