Glycoside
GD124134
Name:
4,6-dihydroxy-6-methyl-3,9-dimethylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2-oneFormula:
C21H30O10Smiles:
C=C1C(=O)OC2C1C(O)CC(C)(O)C1CC(OC3OC(CO)C(O)C(O)C3O)C(=C)C21Aglycone:
C=C1C(=O)OC2C1C(O)CC(C)(O)C1CC(O)C(=C)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.46 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD50124
Formula: C15H20O5
Smiles:
C=C1C(=O)OC2C1C(O)CC(C)(O)C1CC(O)C(=C)C21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 280.32 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
