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-(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-Dglucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)-beta-D-glucopyranoside

ID: ALA2035125

Chembl Id: CHEMBL2035125

PubChem CID: 49844986

Max Phase: Preclinical

Molecular Formula: C102H175NO81

Molecular Weight: 2711.45

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](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/C102H175NO81/c103-5-3-1-2-4-6-153-87-57(138)72(40(121)24(8-105)154-87)171-89-59(140)74(42(123)26(10-107)156-89)173-91-61(142)76(44(125)28(12-109)158-91)175-93-63(144)78(46(127)30(14-111)160-93)177-95-65(146)80(48(129)32(16-113)162-95)179-97-67(148)82(50(131)34(18-115)164-97)181-99-69(150)84(52(133)36(20-117)166-99)183-101-71(152)86(54(135)38(22-119)168-101)184-102-70(151)85(53(134)37(21-118)169-102)182-100-68(149)83(51(132)35(19-116)167-100)180-98-66(147)81(49(130)33(17-114)165-98)178-96-64(145)79(47(128)31(15-112)163-96)176-94-62(143)77(45(126)29(13-110)161-94)174-92-60(141)75(43(124)27(11-108)159-92)172-90-58(139)73(41(122)25(9-106)157-90)170-88-56(137)55(136)39(120)23(7-104)155-88/h23-102,104-152H,1-22,103H2/t23-,24-,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+/m1/s1

Standard InChI Key:  RKRMYCCCDFOBOV-ZWAGCPRNSA-N

Alternative Forms

1. Parent:

   

   ALA2035125

   ---

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: 2711.45

Molecular Weight (Monoisotopic): 2709.9605

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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