Glycoside
GD135229
Name:
2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O14Smiles:
COc1cc(C2CC(=O)c3c(O)cc(OC4CC(CO)C(O)C(O)C4O)cc3O2)ccc1OC1OCC(O)(CO)C1OAglycone:
COc1cc(C2CC(=O)c3c(O)cc(OC4CC(CO)C(O)C(O)C4O)cc3O2)ccc1OSugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.57 | Num_heavy_atoms: | 42 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD54684
Formula: C23H26O10
Smiles:
COc1cc(C2CC(=O)c3c(O)cc(OC4CC(CO)C(O)C(O)C4O)cc3O2)ccc1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.45 | Num_heavy_atoms: | 33 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
