Glycoside
GD141030
Name:
N-{8-chloro-4-hydroxy-2-oxo-7-[(3,4,5-trihydroxy-6,6-dimethyloxan-2-yl)oxy]-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamideFormula:
C29H30O10NClSmiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(OC4OC(C)(C)C(O)C(O)C4O)c(Cl)c3oc2=O)ccc1OAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1OSugarmoiety:
CC1(C)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.0 | Num_heavy_atoms: | 40 |
| TPSA: | 178.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD00227
Formula: C22H18O6NCl
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 415.83 | Num_heavy_atoms: | 29 |
| TPSA: | 120.0 | NumAromaticRings: | 3 |
