Glycoside
GD143621
Name:
6-[(acetylsulfanyl)methyl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-2-oneFormula:
C18H22O10SSmiles:
CC(=O)SCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C32Aglycone:
CC(=O)SCC1=CC2OC(=O)C3=COC(O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.43 | Num_heavy_atoms: | 29 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD57752
Formula: C12H12O5S
Smiles:
CC(=O)SCC1=CC2OC(=O)C3=COC(O)C1C32| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.29 | Num_heavy_atoms: | 18 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
