Glycoside
GD126998
Name:
4-{3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]but-1-en-1-yl}-3,5,5-trimethylcyclohex-2-en-1-oneFormula:
C24H38O11Smiles:
CC1=CC(=O)CC(C)(C)C1C=CC(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1C=CC(C)OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 502.56 | Num_heavy_atoms: | 35 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD03070
Formula: C13H20O2
Smiles:
CC1=CC(=O)CC(C)(C)C1C=CC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
