Glycoside
GD119035
Name:
4,5-bis(acetyloxy)-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-2-({[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl acetateFormula:
C40H46O20Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(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)cc3O2)cc1Aglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)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: | 20 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 846.79 | Num_heavy_atoms: | 60 |
| TPSA: | 250.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD00973
Formula: C16H14O5
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
