Glycoside
GD106107
Name:
3,6,9-trimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-4-yl 2-hydroxy-2-methyl-3-oxobutanoateFormula:
C26H34O12Smiles:
C=C1C[C@@H](OC(=O)[C@@](C)(O)C(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12Aglycone:
C=C1CC(OC(=O)C(C)(O)C(C)=O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD44113
Formula: C20H24O7
Smiles:
C=C1CC(OC(=O)C(C)(O)C(C)=O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
