Glycoside
GD097448
Name:
NoneFormula:
C21H23O8N3SSmiles:
Cc1ccc(S(=O)(=O)n2ncc3cc(C(=O)N[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)ccc32)cc1Aglycone:
Cc1ccc(S(=O)(=O)n2ncc3cc(C(N)=O)ccc32)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 477.5 | Num_heavy_atoms: | 33 |
| TPSA: | 171.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD41445
Formula: C15H13O3N3S
Smiles:
Cc1ccc(S(=O)(=O)n2ncc3cc(C(N)=O)ccc32)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.35 | Num_heavy_atoms: | 22 |
| TPSA: | 95.05 | NumAromaticRings: | 3 |
