Glycoside
GD134188
Name:
10-methoxy-6-({[(methylsulfanyl)carbonyl]oxy}methyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-oxatricyclo[5.3.1.0â´,¹¹]undec-5-en-2-oneFormula:
C20H28O11SSmiles:
COC1CC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)SC)=CC3OC(=O)C1C32Aglycone:
COC1CC(O)C2C(COC(=O)SC)=CC3OC(=O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.5 | Num_heavy_atoms: | 32 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD54287
Formula: C14H18O6S
Smiles:
COC1CC(O)C2C(COC(=O)SC)=CC3OC(=O)C1C32| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.36 | Num_heavy_atoms: | 21 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
