Glycoside
GD117137
Name:
2,6,7-trimethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9-oxatricyclo[6.3.1.0¹,âµ]dodec-4-ene-3,10-dioneFormula:
C21H30O9Smiles:
CC1C2CC3(CC(=O)O2)C(=CC(=O)C3C)C1(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1C2CC3(CC(=O)O2)C(=CC(=O)C3C)C1(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46656
Formula: C15H20O4
Smiles:
CC1C2CC3(CC(=O)O2)C(=CC(=O)C3C)C1(C)CO| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
