Glycoside
GD027344
Name:
NoneFormula:
C20H29O8N3SSmiles:
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(NS(C)(=O)=O)cc1Aglycone:
CC(C)c1[nH]nc(O)c1Cc1ccc(NS(C)(=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 471.53 | Num_heavy_atoms: | 32 |
| TPSA: | 174.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD17975
Formula: C14H19O3N3S
Smiles:
CC(C)c1[nH]nc(O)c1Cc1ccc(NS(C)(=O)=O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.39 | Num_heavy_atoms: | 21 |
| TPSA: | 95.08 | NumAromaticRings: | 2 |
