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22alpha-methoxy-3-beta-O-{beta-D-Xylp(1->3)-[beta-D-Glcp-(1->2)]-beta-D-Glcp-(1->4)-beta-D-Glcp}-furost-3beta,26-diol 26-O-beta-D-Glcp

PropertiesImage
MNX_IDMNXM103308 Image of MNXM103308
referencechebi:65534
formulaC57H96O28
global charge0
mol weight1229.367
InChIKeyQOKZNLCOQRNCTQ-XFBOQIBUSA-N
InChIInChI=1S/C57H96O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h22-54,58-73H,6-21H2,1-5H3/t22?,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+/m0/s1
SMILESCO[C@]1(CCC(C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CCC5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C57H96O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h22-54,58-73H,6-21H2,1-5H3/t22?,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+/m0/s1 Image of MNXM103308
SMILES (mnx)[CH3:1][CH:22]([CH2:8][CH2:13][C@:57]1([O:74][CH3:5])[C@@H:23]([CH3:2])[C@H:35]2[C@H:30]([CH2:15][C@H:28]3[C@@H:26]4[CH2:7][CH2:6][CH:24]5[CH2:14][C@@H:25]([O:77][C@H:52]6[C@H:46]([OH:73])[C@@H:42]([OH:69])[C@H:47]([O:82][C@H:54]7[C@H:49]([O:84][C@H:53]8[C@H:45]([OH:72])[C@@H:41]([OH:68])[C@H:38]([OH:65])[C@@H:32]([CH2:17][OH:59])[O:79]8)[C@@H:48]([O:83][C@H:51]8[C@H:43]([OH:70])[C@@H:36]([OH:63])[C@H:29]([OH:62])[CH2:21][O:76]8)[C@H:39]([OH:66])[C@@H:33]([CH2:18][OH:60])[O:80]7)[C@@H:34]([CH2:19][OH:61])[O:81]6)[CH2:9][CH2:11][C@:55]5([CH3:3])[C@H:27]4[CH2:10][CH2:12][C@@:56]32[CH3:4])[O:85]1)[CH2:20][O:75][C@H:50]1[C@H:44]([OH:71])[C@@H:40]([OH:67])[C@H:37]([OH:64])[C@@H:31]([CH2:16][OH:58])[O:78]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65534
chebi:65534
QOKZNLCOQRNCTQ-XFBOQIBUSA-N 		22alpha-methoxy-3-beta-O-{beta-D-Xylp(1->3)-[beta-D-Glcp-(1->2)]-beta-D-Glcp-(1->4)-beta-D-Glcp}-furost-3beta,26-diol 26-O-beta-D-Glcp
(3beta,22R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside
26-O-beta-D-glucopyranosyl 22alpha-methoxyfurost-3beta,26-diol 3-O-beta-D-xylopyranosyl(1->3)-{beta-D-glucopyranosyl(1->2)}-beta-D-glucopyranosyl(1->4)-beta-D-glucopyranoside