Glycoside
GD144375
Name:
1-(2-hydroxy-2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)butane-2,3-dioneFormula:
C19H30O9Smiles:
CC(=O)C(=O)C=C1C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)OAglycone:
CC(=O)C(=O)C=C1C(C)(C)CC(O)CC1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD58024
Formula: C13H20O4
Smiles:
CC(=O)C(=O)C=C1C(C)(C)CC(O)CC1(C)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
