6-Aminohexyl 3-O-(3-O-(3-O-(3-O-(3-O-(3-O-(3-O-(3-O-(3-O-(3-O-(3-O-(3-O-(3-O-(6-O-(beta-D-glucopyranosyl)-3-O-(3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranoside

ID: ALA2037612

Chembl Id: CHEMBL2037612

PubChem CID: 49844985

Max Phase: Preclinical

Molecular Formula: C108H185NO86

Molecular Weight: 2873.59

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  NCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%13O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%14O[C@H](CO[C@@H]%15O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%15O)[C@@H](O)[C@H](O[C@@H]%15O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%16O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%16O)[C@H]%15O)[C@H]%14O)[C@H]%13O)[C@H]%12O)[C@H]%11O)[C@H]%10O)[C@H]9O)[C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H]2O)[C@H]1O

Standard InChI:  InChI=1S/C108H185NO86/c109-5-3-1-2-4-6-162-93-62(147)77(43(128)26(9-112)165-93)182-95-64(149)79(45(130)28(11-114)167-95)183-96-65(150)80(46(131)29(12-115)168-96)184-97-66(151)81(47(132)30(13-116)169-97)185-98-67(152)82(48(133)31(14-117)170-98)186-99-68(153)83(49(134)32(15-118)171-99)187-100-69(154)84(50(135)33(16-119)172-100)188-101-70(155)85(51(136)34(17-120)173-101)189-102-71(156)86(52(137)35(18-121)174-102)190-103-72(157)87(53(138)36(19-122)175-103)191-104-73(158)88(54(139)37(20-123)176-104)192-105-74(159)89(55(140)38(21-124)177-105)193-106-75(160)90(56(141)39(22-125)178-106)194-108-76(161)91(57(142)40(180-108)23-163-92-60(145)58(143)41(126)24(7-110)164-92)195-107-63(148)78(44(129)27(10-113)179-107)181-94-61(146)59(144)42(127)25(8-111)166-94/h24-108,110-161H,1-23,109H2/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92-,93-,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+/m1/s1

Standard InChI Key:  BOXIQSGQNDNBQB-UQGJQNESSA-N

Alternative Forms

1. Parent:

   

   ALA2037612

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 2873.59

Molecular Weight (Monoisotopic): 2872.0134

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References

1. Tanaka H, Kawai T, Adachi Y, Hanashima S, Yamaguchi Y, Ohno N, Takahashi T..  (2012)  Synthesis of β(1,3) oligoglucans exhibiting a Dectin-1 binding affinity and their biological evaluation.,  20  (12): [PMID:22578491] [10.1016/j.bmc.2012.04.017]

Source

Source(1):

• Scientific Literature