Glycoside
GD156518
Name:
4-(5-hydroxy-4-oxo-7-{[3,4,5-tris(acetyloxy)-6-({[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-3-yl)phenyl acetateFormula:
C41H44O21Smiles:
CC(=O)Oc1ccc(-c2coc3cc(OC4OC(COC5OC(C)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc(O)c3c2=O)cc1Aglycone:
CC(=O)Oc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 13 |
| MolWt: | 872.78 | Num_heavy_atoms: | 62 |
| TPSA: | 271.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD55094
Formula: C17H12O6
Smiles:
CC(=O)Oc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
