Octasaccharide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 41
Total Number of Articles : 55
PubChem 92131500
Molecular Formula

C48H76N4O76S12

SMILES

C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(=O)O)O[C@@H]4[C@H](OC([C@@H]([C@H]4O)NS(=O)(=O)O)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(=O)O)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)NS(=O)(=O)O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(=O)O)O[C@@H]8[C@H](OC([C@@H]([C@H]8O)NS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C48H76N4O76S12/c53-6-1-7(37(61)62)111-45(23(6)125-137(94,95)96)115-25-9(3-107-134(85,86)87)112-42(13(17(25)55)50-130(73,74)75)119-29-21(59)32(127-139(100,101)102)47(123-35(29)39(65)66)117-27-11(5-109-136(91,92)93)114-44(15(19(27)57)52-132(79,80)81)121-30-22(60)33(128-140(103,104)105)48(124-36(30)40(67)68)118-26-10(4-108-135(88,89)90)113-43(14(18(26)56)51-131(76,77)78)120-28-20(58)31(126-138(97,98)99)46(122-34(28)38(63)64)116-24-8(2-106-133(82,83)84)110-41(69)12(16(24)54)49-129(70,71)72/h1,6,8-36,41-60,69H,2-5H2,(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)/t6-,8+,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,35+,36+,41?,42?,43?,44?,45-,46+,47+,48+/m0/s1

synonyms
  • Octasaccharide
  • J-200012
Click to show/hide the synonyms
Properties
Property Value
MW 2309.9 g/mol
HBD 29
HBA 80
Rotatable Bond Count 46
Exact Mass 2307.8853636 g/mol
Monoisotopic Mass 2307.8853636 g/mol
Heavy Atom Count 140
Isotope Atom Count 0
Atom Stereo Count 38
Covalent Unit Count 1
Complexity 5860
xlogp -21.9
Topological Polar Surface Area 1340