Glycoside
GD144253
Name:
2-(hydroxymethyl)-6-{[2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-yl]oxy}oxane-3,4,5-triolFormula:
C21H36O7Smiles:
CC1=CCC(C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C(C)(C)O2)CC1Aglycone:
CC1=CCC(C2(C)CCC(O)C(C)(C)O2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD57988
Formula: C15H26O2
Smiles:
CC1=CCC(C2(C)CCC(O)C(C)(C)O2)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
