Glycoside
GD123249
Name:
4-{[3,5-Bis(Acetyloxy)-4-{[4,5-Bis(Acetyloxy)-3-Hydroxy-6-Methyloxan-2-Yl]Oxy}-6-Methyloxan-2-Yl]Oxy}-6-{[6-(Dodecyloxy)-4,5-Dihydroxy-2-Methyloxan-3-Yl]Oxy}-5-Hydroxy-2-Methyloxan-3-Yl AcetateFormula:
C46H76O22Smiles:
CCCCCCCCCCCCOC1OC(C)C(OC2OC(C)C(OC(C)=O)C(OC3OC(C)C(OC(C)=O)C(OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4O)C3OC(C)=O)C2O)C(O)C1OAglycone:
CCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(OC4C(C)OC(O)C(O)C4O)OC(C)C3OC(C)=O)C2OC(C)=O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 23 |
| MolWt: | 981.09 | Num_heavy_atoms: | 68 |
| TPSA: | 286.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD00833
Formula: C12H26O
Smiles:
CCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 186.34 | Num_heavy_atoms: | 13 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
Sugarmoiety
SD06115
CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(OC4C(C)OC(O)C(O)C4O)OC(C)C3OC(C)=O)C2OC(C)=O)C(O)C1OC(C)=O