Glycoside
GD155808
Name:
3,4,5-trihydroxy-6-({4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-yl}oxy)oxane-2-carboxylic acidFormula:
C16H24O8Smiles:
CC12CCC(C(OC3OC(C(=O)O)C(O)C(O)C3O)C1=O)C2(C)CAglycone:
CC12CCC(C(O)C1=O)C2(C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.36 | Num_heavy_atoms: | 24 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD61759
Formula: C10H16O2
Smiles:
CC12CCC(C(O)C1=O)C2(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
