Glycoside
GD091146
Name:
NoneFormula:
C19H29O9NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.51 | Num_heavy_atoms: | 30 |
| TPSA: | 151.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD39731
Formula: C13H19O5NS
Smiles:
CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)NCCO)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 301.36 | Num_heavy_atoms: | 20 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
