Glycoside
GD122163
Name:
N-{8-chloro-7-[(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy]-4-hydroxy-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamideFormula:
C30H32O10NClSmiles:
COC1C(O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1OSugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.03 | Num_heavy_atoms: | 41 |
| TPSA: | 167.92 | 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 |
