Glycoside
GD153814
Name:
3-methylidene-8-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,14-dioxatricyclo[10.2.1.0²,â¶]pentadeca-7,11-diene-4,13-dioneFormula:
C21H26O10Smiles:
C=C1C(=O)OC2C=C(COC3OC(CO)C(O)C(O)C3O)CCC=C3CC(OC3=O)C12Aglycone:
C=C1C(=O)OC2C=C(CO)CCC=C3CC(OC3=O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD55881
Formula: C15H16O5
Smiles:
C=C1C(=O)OC2C=C(CO)CCC=C3CC(OC3=O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
