10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,11,17,18,19-heptahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,26,28,30,33-tridecaene-8,14-dione
Basic information
- Standard SMILES
O=C1OC(C2OC(=O)c3cc(O)c(O)c(O)c3-c3ccc4occ5c(ccc6occ3c4=c65)-c3c(cc(O)c(O)c3O)C(=O)OCC2O)C2OC(=O)c3c(c(O)c(O)c(O)c3C2O)-c2c1cc(O)c(O)c2O- InChIKey
HOONZKTWDRIKGJ-UHFFFAOYSA-N- Molecular formula
- C48H30O24
- Average molar mass
- 990.7 g/mol
- Monoisotopic mass
- 990.11270184
Names & identifiers
- Preferred name
- 10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,11,17,18,19-heptahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,26,28,30,33-tridecaene-8,14-dione
- IUPAC
- 10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,11,17,18,19-heptahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,26,28,30,33-tridecaene-8,14-dione
Database identifiers
- Nikkaji
- J1.849.171K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 407 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 1
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 2,540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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