Molecule ID: 122198231

IUPAC Name: (2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol

Description: The molecule is a (1->3)-beta-D-glucan consisting of 12 glucosyl residues linked in a linear sequence. It is an oligosaccharide and a (1->3)-beta-D-glucan.

SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O[C@@H]6[C@@H](O)[C@H](O[C@@H]7[C@@H](O)[C@H](O[C@@H]8[C@@H](O)[C@H](O[C@@H]9[C@@H](O)[C@H](O[C@@H]%10[C@@H](O)[C@H](O[C@@H]%11[C@@H](O)[C@H](O[C@@H]%12[C@@H](O)[C@H](O)O[C@H](CO)[C@H]%12O)O[C@H](CO)[C@H]%11O)O[C@H](CO)[C@H]%10O)O[C@H](CO)[C@H]9O)O[C@H](CO)[C@H]8O)O[C@H](CO)[C@H]7O)O[C@H](CO)[C@H]6O)O[C@H](CO)[C@H]5O)O[C@H](CO)[C@H]4O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

SELFIES: [O][C][C@H1][O][C@@H1][Branch2][S][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][#C][C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][=N][=N][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][N][Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][O][Ring1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch2][=C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Branch2][=Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch1][Ring2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Branch1][#C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][#Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Ring1][Branch1][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Ring1][S][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Ring2][O][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Branch1][=Branch1][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Branch1][P][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][=Branch1][N][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][#Branch1][#Branch1][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Branch2][C][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Branch2][=N][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][=Branch2][Branch2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][#Branch2][C][O]

InChI: InChI=1S/C72H122O61/c73-1-13-25(85)37(97)38(98)62(112-13)124-51-27(87)15(3-75)114-64(40(51)100)126-53-29(89)17(5-77)116-66(42(53)102)128-55-31(91)19(7-79)118-68(44(55)104)130-57-33(93)21(9-81)120-70(46(57)106)132-59-35(95)23(11-83)122-72(48(59)108)133-60-36(96)24(12-84)121-71(49(60)109)131-58-34(94)22(10-82)119-69(47(58)107)129-56-32(92)20(8-80)117-67(45(56)105)127-54-30(90)18(6-78)115-65(43(54)103)125-52-28(88)16(4-76)113-63(41(52)101)123-50-26(86)14(2-74)111-61(110)39(50)99/h13-110H,1-12H2/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,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+/m1/s1

Molecular Properties:
- Polar Surface Area: 981.0 Ų
- LogP: -20.1