Glycoside
GD013722
Name:
2-{[1-butoxy-1,5-bis(3,4-dihydroxyphenyl)pent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H34O11Smiles:
CCCCO[C@H](c1ccc(O)c(O)c1)[C@H](CC#Cc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCOC(c1ccc(O)c(O)c1)C(O)CC#Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 189.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD10193
Formula: C21H24O6
Smiles:
CCCCOC(c1ccc(O)c(O)c1)C(O)CC#Cc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
