Glycoside
GD139828
Name:
4,6,6-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[3.1.1]hept-3-en-2-oneFormula:
C16H24O7Smiles:
CC1=CC(=O)C2CC1(OC1OC(CO)C(O)C(O)C1O)C2(C)CAglycone:
CC1=CC(=O)C2CC1(O)C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.36 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD56392
Formula: C10H14O2
Smiles:
CC1=CC(=O)C2CC1(O)C2(C)C| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
