Glycoside
GD151281
Name:
methyl 5-hydroxy-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:
C23H34O16Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C1C(O)C1OC12CAglycone:
COC(=O)C1=COC(O)C2C1C(O)C1OC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -5.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.51 | Num_heavy_atoms: | 39 |
| TPSA: | 246.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD06663
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C1C(O)C1OC12C| 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 |
