jadomycin S

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 10
Total Number of Articles : 5
PubChem 11260972
Molecular Formula

C27H25NO10

SMILES

C[C@H]1[C@@H]([C@@H](C[C@@H](O1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C(C=C5O)C)[C@H]6N4[C@H](C(=O)O6)CO)O)O

InChI

InChI=1S/C27H25NO10/c1-10-6-13-19(15(30)7-10)21-22(28-14(9-29)27(35)38-26(13)28)25(34)20-12(24(21)33)4-3-5-17(20)37-18-8-16(31)23(32)11(2)36-18/h3-7,11,14,16,18,23,26,29-32H,8-9H2,1-2H3/t11-,14-,16+,18-,23-,26-/m0/s1

synonyms
  • Jadomycin S
  • (3S,6S)-19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-3-(hydroxymethyl)-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
  • (3S,6S)-19-((2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-3-(hydroxymethyl)-9-methyl-5-oxa-2-azapentacyclo(11.8.0.02,6.07,12.015,20)henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
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Properties
Property Value
MW 523.5 g/mol
HBD 4
HBA 11
Rotatable Bond Count 3
Exact Mass 523.14784599 g/mol
Monoisotopic Mass 523.14784599 g/mol
Heavy Atom Count 38
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1040
xlogp 2
Topological Polar Surface Area 163