Glycoside
GD150470
Name:
6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-oneFormula:
C21H34O11Smiles:
CC1(C)C2CC(=O)C1(C)C(OC1OC(COC3OCC(O)(CO)C3O)C(O)C(O)C1O)C2Aglycone:
CC1(C)C2CC(=O)C1(C)C(O)C2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.49 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD60104
Formula: C10H16O2
Smiles:
CC1(C)C2CC(=O)C1(C)C(O)C2| 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 |
