Glycoside
GD139839
Name:
5-methyl-2-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)cyclohexa-2,5-dien-1-oneFormula:
C16H24O7Smiles:
CC1=CC(=O)C(C(C)COC2OC(CO)C(O)C(O)C2O)=CC1Aglycone:
CC1=CC(=O)C(C(C)CO)=CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.36 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD56397
Formula: C10H14O2
Smiles:
CC1=CC(=O)C(C(C)CO)=CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
