Glycoside
GD133954
Name:
methyl 5-hydroxy-5-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,8-dioxatricyclo[4.4.0.0²,â´]dec-9-ene-10-carboxylateFormula:
C17H24O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C1OC1C2(C)OAglycone:
COC(=O)C1=COC(O)C2C1C1OC1C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 167.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD54192
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C2(C)O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 88.52 | NumAromaticRings: | 0 |
