Glycoside
GD115358
Name:
1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-oneFormula:
C14H18O9Smiles:
CC(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1OAglycone:
CC(=O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.29 | Num_heavy_atoms: | 23 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD05020
Formula: C8H8O4
Smiles:
CC(=O)c1c(O)cc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
