New Search   Help   About   Login

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
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

toggle 4 taxonomy entries

Most similar molecules

toggle 3 molecules (tanimoto >90%)

Reactions the molecule is involved in

toggle 1 reaction

Pathways the molecule is involved in

toggle 1 pathway