Glycoside
GD140627
Name:
2,4,4-trimethyl-3-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)cyclohex-2-en-1-oneFormula:
C19H30O7Smiles:
CC1=C(C=CC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CCC1=OAglycone:
CC1=C(C=CC(C)O)C(C)(C)CCC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.44 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51156
Formula: C13H20O2
Smiles:
CC1=C(C=CC(C)O)C(C)(C)CCC1=O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
