Glycoside
GD128380
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl]oxy}oxan-2-yl)methoxy]propanoic acidFormula:
C22H34O10Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1CCC(C)O.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.5 | Num_heavy_atoms: | 32 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD06643
Formula: C13H22O2
Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
