Glycoside
GD139396
Name:
3-(3-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}butyl)-2,4,4-trimethylcyclohex-2-en-1-oneFormula:
C24H40O11Smiles:
CC1=C(CCC(C)OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C(C)(C)CCC1=OAglycone:
CC1=C(CCC(C)O)C(C)(C)CCC1=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.57 | Num_heavy_atoms: | 35 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD33445
Formula: C13H22O2
Smiles:
CC1=C(CCC(C)O)C(C)(C)CCC1=O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
