Glycoside
GD152058
Name:
2-({3,3-dimethylbicyclo[2.2.1]heptan-2-yl}methoxy)-6-[({9-hydroxy-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-yl}oxy)methyl]oxane-3,4,5-triolFormula:
C24H40O10Smiles:
CC1(C)OCC2(COC(OCC3OC(OCC4C5CCC(C5)C4(C)C)C(O)C(O)C3O)C2O)O1Aglycone:
CC1(C)C2CCC(C2)C1CO.COC1OCC2(COC(C)(C)O2)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.57 | Num_heavy_atoms: | 34 |
| TPSA: | 136.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD45067
Formula: C10H18O
Smiles:
CC1(C)C2CCC(C2)C1CO| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD60578
Formula: C9H16O5
Smiles:
COC1OCC2(COC(C)(C)O2)C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.22 | Num_heavy_atoms: | 14 |
| TPSA: | 57.15 | NumAromaticRings: | 0 |
