Basic information
- CAS
271579-12-5- Standard SMILES
O=C1OCC2OC(Oc3cc(O)c(C(=O)CCc4ccccc4)c(O)c3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O- InChIKey
UJNCWORGHSATHA-UHFFFAOYSA-N- Molecular formula
- C35H30O17
- Average molar mass
- 722.6 g/mol
- Monoisotopic mass
- 722.14829948
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-((4,6-O-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)hexopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-phenyl-
- IUPAC
- 13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
- English name
- thonningianin B
- Molecular formula
- C35H30O17
- Molecular weight
- 722.61
Names & synonyms
271579-12-5SCH 6443421-Propanone, 1-(4-((4,6-O-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)hexopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-phenyl-607391-94-6SCH-644342SCHEMBL28265893DTXSID901100353C35H30O17TN2431AKOS0407608251-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-DA-78438
Show more names
thonningianin BThonningianins B1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-
H63682[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-octahydroxy-[?]dione1-[4-[[4,6-O-[[(1S)-4,4a(2),5,5a(2),6,6a(2)-Hexahydroxy[1,1a(2)-biphenyl]-2,2a(2)-diyl]dicarbonyl]-I(2)-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-1-propanone1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4 inverted exclamation marka,5,5 inverted exclamation marka,6,6 inverted exclamation marka-hexahydroxy[1,1 inverted exclamation marka-biphenyl]-2,2 inverted exclamation marka-diyl]dicarbonyl]-|A-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-Dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-9,17-dione, 13-[3,5-dihydroxy-4-(1-oxo-3-phenylpropyl)phenoxy]-11,11a,13,14,15,15a-hexahydro-2,3,4,5,6,7,14,15-octahydroxy-
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 290 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- Boiling point
- 1239.4 · 1239.4±65.0 °C(Predicted)
- Density
- 1.67 · 1.670±0.06 g/cm3(Predicted)
- pka
- 6.8 · 6.80±0.40(Predicted)
- form
- Solid
- color
- Light yellow to light brown
Chemistry & industry
Applications
UsesThonningianin B is an antioxidant and an autophagy enhancer[1][2].
Suppliers33 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
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Related reactions
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Compound notes
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