Glycoside
GD133899
Name:
3-{3-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-5-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}prop-2-enalFormula:
C26H32O11Smiles:
COc1cc(CC(CO)c2cc(C=CC=O)cc(OC)c2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CC(CO)c2cc(C=CC=O)cc(OC)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD54171
Formula: C20H22O6
Smiles:
COc1cc(CC(CO)c2cc(C=CC=O)cc(OC)c2O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
