Glycoside
GD035338
Name:
4-(6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)but-3-en-2-oneFormula:
C24H38O13Smiles:
CC(=O)C=C[C@@]12O[C@H](C[C@]1(C)O[C@@H]1O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)C2(C)CAglycone:
CC(=O)C=CC12OC(CC1(C)O)C(O)C2(C)CSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.56 | Num_heavy_atoms: | 37 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD19923
Formula: C13H20O4
Smiles:
CC(=O)C=CC12OC(CC1(C)O)C(O)C2(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
