Basic information
- CAS
107740-46-5- Standard SMILES
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)ccc1O- InChIKey
UIDGLYUNOUKLBM-ZLADREHTSA-N- Molecular formula
- C28H32O16
- Average molar mass
- 624.5 g/mol
- Monoisotopic mass
- 624.16903493
Overview
isorhamnetin 3-robinobioside has been reported in Lysimachia davurica, Lysimachia vulgaris, and other organisms with data available.
Names & identifiers
- Preferred name
- Isorhamnetin 3-O-robinoside
- IUPAC
- 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
- English name
- isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside
- Molecular formula
- C28H32O16
- Molecular weight
- 624.54
Names & synonyms
107740-46-5Isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranosideIsorhamnetin-Rha-GalIsorhamnetin 3-O-robinoside5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-oneDTXSID701482265,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:923786DTXCID7070717Keiosidei-Rha-gal62249-59-6
Show more names
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
MEGxp0_000109orb2279480orb3179471CHEMBL4536358SCHEMBL15773535ACon0_001014ACon1_000130LMPK12112321
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,040
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 183 · 183-186 °C
- Boiling point
- 953.1 · 953.1±65.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- 6.17 · 6.17±0.40(Predicted)
Chemistry & industry
Suppliers18 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
Hubei Danding Pharmaceutical Technology Co., Ltd+86-18917019315 +86-13173601896 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
上海孚宇生物科技有限公司18672534757 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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