Glycoside
GD146060
Name:
{[6-({8-chloro-5-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-2-oxo-2H-chromen-7-yl}oxy)-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acidFormula:
C31H33O11N2ClSmiles:
COC1C(OC(=N)O)C(O)C(Oc2cc(O)c3cc(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2cc3c(O)cc(O)c(Cl)c3oc2=O)ccc1OSugarmoiety:
COC1C(OC(=N)O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 633.05 | Num_heavy_atoms: | 44 |
| TPSA: | 201.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD58593
Formula: C22H18O6NCl
Smiles:
CC(C)=CCc1cc(C(=O)Nc2cc3c(O)cc(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 |
