Glycoside
GD118992
Name:
7-[(acetylsulfanyl)methyl]-5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C18H24O11SSmiles:
CC(=O)SCC1=CC(O)C2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=O)SCC1=CC(O)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.45 | Num_heavy_atoms: | 30 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD47623
Formula: C12H14O6S
Smiles:
CC(=O)SCC1=CC(O)C2C(C(=O)O)=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.31 | Num_heavy_atoms: | 19 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
