Glycoside
GD059164
Name:
2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-1-(propan-2-yl)cyclohex-3-en-1-yl]oxy}oxane-3,4,5-triolFormula:
C16H28O7Smiles:
CC(C)[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC=C(CO)CC1Aglycone:
CC(C)C1(O)CC=C(CO)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.39 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD29390
Formula: C10H18O2
Smiles:
CC(C)C1(O)CC=C(CO)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
