Glycoside
GD149782
Name:
2,10-dimethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-12-oxatricyclo[7.3.1.0¹,âµ]trideca-2,5-diene-4,11-dioneFormula:
C21H28O9Smiles:
CC1=CC(=O)C2=C(COC3OC(CO)C(O)C(O)C3O)CCC3CC12OC(=O)C3CAglycone:
CC1=CC(=O)C2=C(CO)CCC3CC12OC(=O)C3CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD50317
Formula: C15H18O4
Smiles:
CC1=CC(=O)C2=C(CO)CCC3CC12OC(=O)C3C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
