Glycoside
GD033995
Name:
NoneFormula:
C17H20O7SSmiles:
C#CCO[C@H]1[C@H](O)[C@@H](Sc2ccccc2C(=O)OC)O[C@@H](CO)[C@H]1OAglycone:
COC(=O)c1ccccc1SSugarmoiety:
C#CCOC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.41 | Num_heavy_atoms: | 25 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD21661
Formula: C8H8O2S
Smiles:
COC(=O)c1ccccc1S| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.22 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
