Glycoside
GD149853
Name:
[3,4,5-tris(acetyloxy)-6-({4-ethenyl-8-oxo-octahydropyrano[3,4-c]pyran-3-yl}oxy)oxan-2-yl]methyl acetateFormula:
C24H32O13Smiles:
C=CC1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OCC2C(=O)OCCC21Aglycone:
C=CC1C(O)OCC2C(=O)OCCC21.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.51 | Num_heavy_atoms: | 37 |
| TPSA: | 159.19 | 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 |
AD52217
Formula: C10H14O4
Smiles:
C=CC1C(O)OCC2C(=O)OCCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
