Glycoside
GD140413
Name:
4,7,7-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-oneFormula:
C16H26O7Smiles:
CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)CC2=OAglycone:
CC1(C)C2CC(O)C1(C)CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.38 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD50472
Formula: C10H16O2
Smiles:
CC1(C)C2CC(O)C1(C)CC2=O| 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 |
