Glycoside
GD136587
Name:
2-{2-hydroxy-4-[5-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)pent-4-en-1-yn-1-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H34O14Smiles:
OCC1OC(Oc2ccc(C#CCC=Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(O)c3)cc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C#CCC=Cc2ccc(O)c(O)c2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 239.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD55219
Formula: C17H14O4
Smiles:
Oc1ccc(C#CCC=Cc2ccc(O)c(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.3 | Num_heavy_atoms: | 21 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
