6-Glucosyl-luteolin
PubChem CID: 129705295
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| Compound Synonyms | 6-glucosyl-luteolin |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 218.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CC(C2CCCCC2)C1C1CCCCC1 |
| Np Classifier Class | Flavones |
| Deep Smiles | OC[C@]OCO)[C@@H][C@H][C@@H]6O))O))O))))ccoccc6=O))cO)ccc6)O)))))))cccccc6)O))O |
| Heavy Atom Count | 33.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1C2CCCCC2OC(C2CCCCC2)C1C1CCCCO1 |
| Classyfire Subclass | Flavonoid glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 787.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | -0.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H20O12 |
| Scaffold Graph Node Bond Level | O=c1c(C2CCCCO2)c(-c2ccccc2)oc2ccccc12 |
| Inchi Key | ADNAHLNFSBQNNO-VQYKZLEVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 6-glucosylayleuteolin |
| Esol Class | Soluble |
| Functional Groups | CO, COC(C)O, c=O, cO, coc |
| Compound Name | 6-Glucosyl-luteolin |
| Exact Mass | 464.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 464.095 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 464.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C21H20O12/c22-6-21(19(30)16(28)17(29)20(31)33-21)14-15(27)13-11(26)4-8(23)5-12(13)32-18(14)7-1-2-9(24)10(25)3-7/h1-5,16-17,19-20,22-26,28-31H,6H2/t16-,17-,19+,20?,21+/m1/s1 |
| Smiles | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[C@]4([C@H]([C@@H]([C@H](C(O4)O)O)O)O)CO)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Chelonoides (Plant) Rel Props:Reference:ISBN:9788171360536