Glycoside
GD002987
Name:
2-{[1-(3,4-dihydroxyphenyl)-1-hydroxy-5-(4-hydroxyphenyl)pent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H26O10Smiles:
OC[C@@H]1O[C@H](O[C@H](CC#Cc2ccc(O)cc2)[C@H](O)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C#CCC(O)C(O)c2ccc(O)c(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.45 | Num_heavy_atoms: | 33 |
| TPSA: | 180.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD02771
Formula: C17H16O5
Smiles:
Oc1ccc(C#CCC(O)C(O)c2ccc(O)c(O)c2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
