Glycoside
GD139284
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-(3-hydroxy-3-methylpent-4-en-1-yl)-1,4a,6-trimethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C26H40O9Smiles:
C=CC(C)(O)CCC1=C(C)C(=O)CC2C(C)(C(=O)OC3OC(CO)C(O)C(O)C3O)CCCC12CAglycone:
C=CC(C)(O)CCC1=C(C)C(=O)CC2C(C)(C(=O)O)CCCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD56165
Formula: C20H30O4
Smiles:
C=CC(C)(O)CCC1=C(C)C(=O)CC2C(C)(C(=O)O)CCCC12C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
