Glycoside
GD127675
Name:
1-[3-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)oxiran-2-yl]ethan-1-oneFormula:
C19H30O8Smiles:
CC(=O)C1OC1C1=C(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)CAglycone:
CC(=O)C1OC1C1=C(C)CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.44 | Num_heavy_atoms: | 27 |
| TPSA: | 128.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD51700
Formula: C13H20O3
Smiles:
CC(=O)C1OC1C1=C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 49.83 | NumAromaticRings: | 0 |
