Glycoside
GD148024
Name:
3-methyl-6,9-dimethylidene-2-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-8-yl 2-methylbut-2-enoateFormula:
C26H36O10Smiles:
C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)C(OC(=O)C(C)=CC)CC12Aglycone:
C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(OC(=O)C(C)=CC)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59252
Formula: C20H26O5
Smiles:
C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(OC(=O)C(C)=CC)CC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
