Glycoside
GD040117
Name:
5'-o-[n-(dehydroluciferyl)-sulfamoyl] adenosineFormula:
C21H18O8N8S3Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COS(=O)(=O)NC(=O)c2csc(-c3nc4ccc(O)cc4s3)n2)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1csc(-c2nc3ccc(O)cc3s2)n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.62 | Num_heavy_atoms: | 40 |
| TPSA: | 237.79 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD12437
Formula: C12H9O5N3S3
Smiles:
COS(=O)(=O)NC(=O)c1csc(-c2nc3ccc(O)cc3s2)n1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.42 | Num_heavy_atoms: | 23 |
| TPSA: | 118.48 | NumAromaticRings: | 3 |
