Trisphenol-Sialyllactose
FEATURES
Loading...
NAMES
  • Trisphenol-Sialyllactose
SMILES
CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](OCCCCCCNC(=O)CCC(N)C(=O)NCCOCCOCCOc4ccc(C(c5ccc(OCCOCCOCCNC(=O)C(N)CCC(=O)NCCCCCCO[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([C@@H](O)[C@H](O)CO)O8)[C@H]7O)[C@@H](O)[C@H]6O)cc5)c5ccc(OCCOCCOCCNC(=O)C(N)CCC(=O)NCCCCCCO[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([C@@H](O)[C@H](O)CO)O8)[C@H]7O)[C@@H](O)[C@H]6O)cc5)cc4)O[C@@H]3CO)[C@@H]2O)(C(=O)O)O[C@@H]1[C@@H](O)[C@H](O)CO
InChI
InChI=1S/C139H226N12O72/c1-70(161)149-98-82(164)58-137(134(191)192,218-119(98)101(173)85(167)61-152)221-122-104(176)88(64-155)209-131(113(122)185)215-116-91(67-158)212-128(110(182)107(116)179)206-40-13-7-4-10-34-143-94(170)31-28-79(140)125(188)146-37-43-197-46-49-200-52-55-203-76-22-16-73(17-23-76)97(74-18-24-77(25-19-74)204-56-53-201-50-47-198-44-38-147-126(189)80(141)29-32-95(171)144-35-11-5-8-14-41-207-129-111(183)108(180)117(92(68-159)213-129)216-132-114(186)123(105(177)89(65-156)210-132)222-138(135(193)194)59-83(165)99(150-71(2)162)120(219-138)102(174)86(168)62-153)75-20-26-78(27-21-75)205-57-54-202-51-48-199-45-39-148-127(190)81(142)30-33-96(172)145-36-12-6-9-15-42-208-130-112(184)109(181)118(93(69-160)214-130)217-133-115(187)124(106(178)90(66-157)211-133)223-139(136(195)196)60-84(166)100(151-72(3)163)121(220-139)103(175)87(169)63-154/h16-27,79-93,97-124,128-133,152-160,164-169,173-187H,4-15,28-69,140-142H2,1-3H3,(H,143,170)(H,144,171)(H,145,172)(H,146,188)(H,147,189)(H,148,190)(H,149,161)(H,150,162)(H,151,163)(H,191,192)(H,193,194)(H,195,196)/t79?,80?,81?,82-,83-,84-,85+,86+,87+,88+,89+,90+,91+,92+,93+,97?,98+,99+,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110+,111+,112+,113+,114+,115+,116+,117+,118+,119-,120-,121-,122-,123-,124-,128+,129+,130+,131-,132-,133-,137+,138+,139+/m0/s1
MOLECULAR FORMULA
C139H226N12O72
CROSS REFERENCES
Loading...
Trisphenol-Sialyllactose
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight3215.44
AlogP-18.75
HBond donors48
HBond acceptors84
Atoms449
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Trisphenol-Sialyllactose.