Glycoside
GD002711
Name:
2-[(2-{[1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy}-3,5-dihydroxyoxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H42O14Smiles:
OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H](CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)OC[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1OSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 13 |
| MolWt: | 626.65 | Num_heavy_atoms: | 44 |
| TPSA: | 239.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01667
Formula: C19H24O5
Smiles:
Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 332.4 | Num_heavy_atoms: | 24 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
