Glycoside
GD104579
Name:
6-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methylidene]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-oneFormula:
C25H28O8Smiles:
COc1cc(/C=C2/CCCc3ccccc3C2=O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=C2CCCc3ccccc3C2=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.49 | Num_heavy_atoms: | 33 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD43997
Formula: C19H18O3
Smiles:
COc1cc(C=C2CCCc3ccccc3C2=O)ccc1O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.35 | Num_heavy_atoms: | 22 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
