Glycoside
GD115264
Name:
3-(3,4-dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C28H34O12Smiles:
COc1ccc(-c2coc3c(CCC(C)(C)O)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)cc1OCAglycone:
COc1ccc(-c2coc3c(CCC(C)(C)O)c(O)cc(O)c3c2=O)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.57 | Num_heavy_atoms: | 40 |
| TPSA: | 188.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD45559
Formula: C22H24O7
Smiles:
COc1ccc(-c2coc3c(CCC(C)(C)O)c(O)cc(O)c3c2=O)cc1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.43 | Num_heavy_atoms: | 29 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
