Glycoside
GD122190
Name:
[3Ar-(3Ar*,5E,9Z,11Ar*)]- 2,3,3A,4,7,8,11,11A-Octahydro-6-Methyl-3-Methylene-2-Oxo-, Beta-D-Glucopyranosyl Ester Cyclodeca[B]Furan-10-Carboxylic AcidFormula:
C21H28O9Smiles:
C=C1C(=O)OC2CC(C(=O)OC3OC(CO)C(O)C(O)C3O)=CCCC(C)=CCC12Aglycone:
C=C1C(=O)OC2CC(C(=O)O)=CCCC(C)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49222
Formula: C15H18O4
Smiles:
C=C1C(=O)OC2CC(C(=O)O)=CCCC(C)=CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
