Glycoside
GD126828
Name:
4-(propan-2-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-oneFormula:
C16H22O7Smiles:
CC(C)c1cccc(=O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
CC(C)c1cccc(=O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 326.34 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD51336
Formula: C10H12O2
Smiles:
CC(C)c1cccc(=O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
