Glycoside
GD148354
Name:
methyl 5,6-dihydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-ene-7-carboxylateFormula:
C23H34O17Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C3(C)OC3C(O)C12OAglycone:
COC(=O)C1=COC(O)C2C3(C)OC3C(O)C12OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | -6.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 582.51 | Num_heavy_atoms: | 40 |
| TPSA: | 267.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD09057
Formula: C11H14O7
Smiles:
COC(=O)C1=COC(O)C2C3(C)OC3C(O)C12O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.23 | Num_heavy_atoms: | 18 |
| TPSA: | 108.75 | NumAromaticRings: | 0 |
