Glycoside
GD125750
Name:
2-{[5-hydroxy-4-methyl-1-(propan-2-yl)cyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H28O7Smiles:
CC1=CCC(OC2OC(CO)C(O)C(O)C2O)(C(C)C)CC1OAglycone:
CC1=CCC(O)(C(C)C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.39 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD50866
Formula: C10H18O2
Smiles:
CC1=CCC(O)(C(C)C)CC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
