Glycoside
GD147094
Name:
{[5-hydroxy-6-({5-hydroxy-3-[4-methoxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxo-2H-chromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acidFormula:
C32H38O11N2Smiles:
COc1ccc(C(=O)Nc2cc3c(O)cc(OC4OC(C)(C)C(OC)C(OC(=N)O)C4O)c(C)c3oc2=O)cc1CC=C(C)CAglycone:
COc1ccc(C(=O)Nc2cc3c(O)cc(O)c(C)c3oc2=O)cc1CC=C(C)CSugarmoiety:
COC1C(OC(=N)O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.66 | Num_heavy_atoms: | 45 |
| TPSA: | 190.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD58919
Formula: C23H23O6N
Smiles:
COc1ccc(C(=O)Nc2cc3c(O)cc(O)c(C)c3oc2=O)cc1CC=C(C)C| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.44 | Num_heavy_atoms: | 30 |
| TPSA: | 109.0 | NumAromaticRings: | 3 |
