Glycoside
GD072307
Name:
NoneFormula:
C15H21O9NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccccc2C(=O)O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(O)c1ccccc1S(=O)(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.4 | Num_heavy_atoms: | 26 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD33787
Formula: C9H11O5NS
Smiles:
O=C(O)c1ccccc1S(=O)(=O)NCCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 245.26 | Num_heavy_atoms: | 16 |
| TPSA: | 103.7 | NumAromaticRings: | 1 |
