Glycoside
GD119720
Name:
[5,10-bis({[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy})-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl]methyl acetateFormula:
C39H50O24Smiles:
CC(=O)OCC1OC(OC2OC=CC3C(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C4OC4(COC(C)=O)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OCC12OC1C(O)C1C=COC(O)C12.COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.72 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 16 |
| MolWt: | 902.81 | Num_heavy_atoms: | 63 |
| TPSA: | 295.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD22018
Formula: C11H14O6
Smiles:
CC(=O)OCC12OC1C(O)C1C=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 88.52 | NumAromaticRings: | 0 |
