Glycoside
GD008537
Name:
5,5-dimethyl-4-(3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl)cyclohex-2-en-1-oneFormula:
C24H40O12Smiles:
C[C@H](CC[C@@H]1C=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(O)CCC1C=CC(=O)CC1(C)CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.57 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD06811
Formula: C12H20O2
Smiles:
CC(O)CCC1C=CC(=O)CC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.29 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
