Glycoside
GD032239
Name:
2-(hydroxymethyl)-6-{[4-(2,2,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-yl]oxy}oxane-3,4,5-triolFormula:
C25H44O12Smiles:
CC(C=CC1[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(O)C=CC1C(C)CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.62 | Num_heavy_atoms: | 37 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD20695
Formula: C13H24O2
Smiles:
CC(O)C=CC1C(C)CC(O)CC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.33 | Num_heavy_atoms: | 15 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
