Glycoside
GD135472
Name:
2-(4-methoxyphenyl)-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-5-yl acetateFormula:
C42H46O21Smiles:
COc1ccc(-c2cc(=O)c3c(OC(C)=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(OC(C)=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: | 21 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 14 |
| MolWt: | 886.81 | Num_heavy_atoms: | 63 |
| TPSA: | 260.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD54776
Formula: C18H14O6
Smiles:
COc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(O)cc3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.3 | Num_heavy_atoms: | 24 |
| TPSA: | 85.97 | NumAromaticRings: | 3 |
