Glycoside
GD123162
Name:
2-(4,6-dihydroxy-2-pentyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H36O14Smiles:
CCCCCc1c(OC2OC(CO)C(O)C(O)C2O)c(O)cc(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCc1c(O)c(O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.74 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 536.53 | Num_heavy_atoms: | 37 |
| TPSA: | 239.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD49684
Formula: C11H16O4
Smiles:
CCCCCc1c(O)c(O)cc(O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 212.25 | Num_heavy_atoms: | 15 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
