Glycoside
GD122438
Name:
4-[4-hydroxy-2,6-dimethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-1-en-1-yl]but-3-en-2-oneFormula:
C19H30O8Smiles:
CC(=O)C=CC1=C(C)CC(O)CC1(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)C=CC1=C(C)CC(O)CC1(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.44 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD49334
Formula: C13H20O3
Smiles:
CC(=O)C=CC1=C(C)CC(O)CC1(C)CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
