Basic information
- CAS
58286-51-4- Standard SMILES
O=C(/C=C/c1ccccc1)OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12- InChIKey
SCIGYBYAZUFDLA-VOTSOKGWSA-N- Molecular formula
- C24H28O11
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.16316171
Names & identifiers
- Preferred name
- Scutellarioside I
- IUPAC
- [5-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (E)-3-phenylprop-2-enoate
Names & synonyms
Scutellarioside IDTXSID60134770258286-51-4RefChem:1098379DTXCID601776434GLOBULARINENSC341615MFCD11975465NSC-341615Q1531790[5-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (E)-3-phenylprop-2-enoate[5-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (E)-3-phenylprop-2-enoate
Database identifiers
- CAS
58286-51-4- PubChem CID
- 5477642
- DTXSID
DTXSID601347702
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 826
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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