Glycoside
GD149712
Name:
6-methoxy-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:
C43H48O22Smiles:
COc1ccc(-c2cc(=O)c3c(OC(C)=O)c(OC)c(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)c(OC)c(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: | 22 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.49 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 15 |
| MolWt: | 916.84 | Num_heavy_atoms: | 65 |
| TPSA: | 269.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD47965
Formula: C19H16O7
Smiles:
COc1ccc(-c2cc(=O)c3c(OC(C)=O)c(OC)c(O)cc3o2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.33 | Num_heavy_atoms: | 26 |
| TPSA: | 95.2 | NumAromaticRings: | 3 |
