Basic information
- CAS
128396-15-6- Standard SMILES
Cc1cc(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2o1- InChIKey
MSNMNLUHZBFJDF-YMILTQATSA-N- Molecular formula
- C16H18O9
- Average molar mass
- 354.31 g/mol
- Monoisotopic mass
- 354.09508215
Overview
Schumanniofioside A has been reported in Schumanniophyton magnificum and Dysoxylum acutangulum with data available.
Names & identifiers
- Preferred name
- Schumanniofioside A
- IUPAC
- 7-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- English name
- schumanniofioside A
- Molecular formula
- C16H18O9
- Molecular weight
- 354.31
Names & synonyms
Schumanniofioside A128396-15-62-Methyl-5,7-dihydroxychromone 5-O-beta-glycopyranosideDTXSID101558737-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one7-hydroxy-2-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:181864DTXCID60783645-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-oneSCHEMBL30749470XS1636854H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-methyl-
Show more names
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-7-hydroxy-2-methyl-
5-(|A-D-Glucopyranosyloxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranoside
Database identifiers
- CAS
128396-15-6- PubChem CID
- 5486897
- DTXSID
DTXSID10155873- Nikkaji
- J2.535.334J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 536
Physicochemical properties
- Melting point
- 162 · 162-163 °C(Solv: methanol (67-56-1))
- Boiling point
- 695.9 · 695.9±55.0 °C(Predicted)
- Density
- 1.606 · 1.606±0.06 g/cm3(Predicted)
- pka
- 6.48 · 6.48±0.40(Predicted)
Chemistry & industry
Suppliers2 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Carbosynth[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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