Glycoside
GD007621
Name:
2-{[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O11Smiles:
COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD01856
Formula: C20H24O6
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
