Glycoside
GD143104
Name:
[3,5-bis(acetyloxy)-4-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-methoxyoxan-2-yl]oxy}-6-{[2,4,5-tris(acetyloxy)oxan-3-yl]oxy}oxan-2-yl]methyl acetateFormula:
C36H50O24Smiles:
COC1C(OC(C)=O)C(COC(C)=O)OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3C(OC(C)=O)OCC(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COC(C)=OSugarmoiety:
COC1OC(O)OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3C(OC(C)=O)OCC(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 16 |
| MolWt: | 866.77 | Num_heavy_atoms: | 60 |
| TPSA: | 292.08 | 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 |
Sugarmoiety
SD08924
COC1OC(O)OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3C(OC(C)=O)OCC(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C1OC(C)=O