Glycoside
GD090844
Name:
NoneFormula:
C19H27O9NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCC(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)c1ccc(C(=O)CCC(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.49 | Num_heavy_atoms: | 30 |
| TPSA: | 159.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD39549
Formula: C13H17O5NS
Smiles:
CS(=O)(=O)c1ccc(C(=O)CCC(=O)NCCO)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 299.35 | Num_heavy_atoms: | 20 |
| TPSA: | 100.54 | NumAromaticRings: | 1 |
