Glycoside
GD131222
Name:
2-(hydroxymethyl)-6-[2-(2-methylbut-3-en-2-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triolFormula:
C23H34O12Smiles:
C=CC(C)(C)c1cc(OC2OC(CO)C(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(C)c1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 502.51 | Num_heavy_atoms: | 35 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD53170
Formula: C11H14O2
Smiles:
C=CC(C)(C)c1cc(O)ccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
