Glycoside
GD121922
Name:
4-(3-hydroxy-2,2,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-oneFormula:
C19H30O9Smiles:
CC(=O)C=CC12OC1(C)CC(OC1OC(CO)C(O)C(O)C1O)C(O)C2(C)CAglycone:
CC(=O)C=CC12OC1(C)CC(O)C(O)C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 149.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD05630
Formula: C13H20O4
Smiles:
CC(=O)C=CC12OC1(C)CC(O)C(O)C2(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 70.06 | NumAromaticRings: | 0 |
