Glycoside
GD143213
Name:
3-(hydroxymethyl)-1,3-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-oneFormula:
C16H26O8Smiles:
CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CC(CC1O)C(C)(CO)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.38 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD57608
Formula: C10H16O3
Smiles:
CC12CC(CC1O)C(C)(CO)C2=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
