Glycoside
GD037029
Name:
3-acetyl-7-methoxy-2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4-dihydronaphthalene-1,4-dioneFormula:
C20H22O10Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)C(C)=C(C(C)=O)C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)C(C)=C(C(C)=O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD23354
Formula: C14H12O5
Smiles:
COc1cc(O)c2c(c1)C(=O)C(C)=C(C(C)=O)C2=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 80.67 | NumAromaticRings: | 1 |
