marinomycin A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 23280941
Molecular Formula

C58H76O14

SMILES

CC1=CC=CC=CC=CC2=C(C(=CC=C2)O)C(=O)O[C@H](C[C@H](CC=C[C@H](C[C@H](CC(=CC=CC=CC=CC3=C(C(=CC=C3)O)C(=O)O[C@H](C[C@H](CC=C[C@H](C[C@H](C1)O)O)O)C[C@@H](C)O)C)O)O)O)C[C@@H](C)O

InChI

InChI=1S/C58H76O14/c1-39-19-11-7-5-9-13-21-43-23-15-29-53(67)55(43)57(69)72-52(34-42(4)60)38-48(64)28-18-26-46(62)36-50(66)32-40(2)20-12-8-6-10-14-22-44-24-16-30-54(68)56(44)58(70)71-51(33-41(3)59)37-47(63)27-17-25-45(61)35-49(65)31-39/h5-26,29-30,41-42,45-52,59-68H,27-28,31-38H2,1-4H3/t41-,42-,45-,46-,47+,48+,49+,50+,51+,52+/m1/s1

synonyms
  • MARINOMYCIN A
  • (4S,6S,8E,10S,12S,14E,16E,18E,20E,30S,32S,34E,36S,38S,40E,42E,44E,46E)-6,10,12,26,32,36,38,52-Octahydroxy-4,30-bis[(2R)-2-hydroxypropyl]-14,40-dimethyl-3,29-dioxatricyclo[46.4.0.022,27]dopentaconta-1(48),8,14,16,18,20,22(27),23,25,34,40,42,44,46,49,51-hexadecaene-2,28-dione
  • CHEBI:213454
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Properties
Property Value
MW 997.2 g/mol
HBD 10
HBA 14
Rotatable Bond Count 4
Exact Mass 996.52350709 g/mol
Monoisotopic Mass 996.52350709 g/mol
Heavy Atom Count 72
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 1760
xlogp 10
Topological Polar Surface Area 255