Glycoside
GD020855
Name:
4-(4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-oneFormula:
C24H40O12Smiles:
CC(=O)C=C[C@]1(O)[C@H](C)C[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)CC1(C)CAglycone:
CC(=O)C=CC1(O)C(C)CC(O)CC1(C)CSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.57 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD14329
Formula: C13H22O3
Smiles:
CC(=O)C=CC1(O)C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
