Glycoside
GD082078
Name:
NoneFormula:
C18H27O8NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)c1ccc(CCC(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 417.48 | Num_heavy_atoms: | 28 |
| TPSA: | 142.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD36852
Formula: C12H17O4NS
Smiles:
CS(=O)(=O)c1ccc(CCC(=O)NCCO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 271.34 | Num_heavy_atoms: | 18 |
| TPSA: | 83.47 | NumAromaticRings: | 1 |
