Glycoside
GD135517
Name:
[3Ar-(3Ar*,5E,7R*,9Z,11Ar*)]-2,3,3A,4,7,8,11,11A-Octahydro-7-Hydroxy-6-Methyl-3-Methylene-2-Oxo-, Beta-D-Glucopyranosyl Ester Cyclodeca[B]Furan-10-Carboxylic AcidFormula:
C21H28O10Smiles:
C=C1C(=O)OC2CC(C(=O)OC3OC(CO)C(O)C(O)C3O)=CCC(O)C(C)=CCC12Aglycone:
C=C1C(=O)OC2CC(C(=O)O)=CCC(O)C(C)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD54794
Formula: C15H18O5
Smiles:
C=C1C(=O)OC2CC(C(=O)O)=CCC(O)C(C)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
