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Molecule Detail Page

Molecule name

epsilon-Rhodomycin_T

Molecular Structure

Properties calculated from structure

PropertyValue ?
FormulaC30H35NO11
Weight585.599 [g/mol]
Complexity1054.27
XLogP0.50
TPSA183.29
#HDonors5
#HAcceptors12
Gibbs Energy -257.3 [kcal/mol]
1H NMR spectrum Predict NMR spectrum (requires installed Java plugin)
Predict NMR spectrum (requires HTML5 compatible browser)
13C NMR spectrum Predict NMR spectrum (requires HTML5 compatible browser)
Isotopic distribution Predict Isotopic distribution

Structure representations/Cross-references

PropertyValue ?
SMILESOC3=C1[C@@H](C[C@@](O)(CC)[C@@H](C(=O)OC)C1=C(O)C=4C(=O)C2=CC=CC(O)=C2C(=O)C3=4)O[C@@H]5C[C@@H]([C@H](O)[C@@H](C)O5)N(C)C
InChIInChI=1S/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16-,17-,23-,24+,30+/m0/s1
InChI-Key InChIKey=CVACSAHKWDLUII-DTNVTZSYSA-N
KEGG ID None
ChEBI ID None
PubChem-CID 13936688

Taxonomy

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Most similar molecules

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Reactions the molecule is involved in

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Pathways the molecule is involved in

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