Glycoside
GD080576
Name:
NoneFormula:
C17H25O9NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(CCC(=O)O)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(O)CCc1ccc(S(=O)(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 419.45 | Num_heavy_atoms: | 28 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD36448
Formula: C11H15O5NS
Smiles:
O=C(O)CCc1ccc(S(=O)(=O)NCCO)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 273.31 | Num_heavy_atoms: | 18 |
| TPSA: | 103.7 | NumAromaticRings: | 1 |
