6-deoxy-alpha-l-mannopyranosyl-(1->2)-[6-deoxy-alpha-l-mannopyranosyl-(1->4)-6-deoxy-alpha-l-mannopyranosyl-(1->4)]-(1r)-1,5-anhydro-1-[(3beta,16beta,22r,25s)-26-(beta-d-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl]-d-glucitol

Structural Information

Molecular Formula

C₅₈H₉₆O₂₅

SMILES

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)C6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)OC8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC

InChI

InChI=1S/C58H96O25/c1-22(21-74-52-43(68)41(66)38(63)33(19-59)79-52)11-16-58(73-8)23(2)35-32(83-58)18-31-29-10-9-28-17-27(12-14-56(28,6)30(29)13-15-57(31,35)7)49-51(82-54-45(70)40(65)37(62)25(4)76-54)47(72)50(34(20-60)78-49)81-55-46(71)42(67)48(26(5)77-55)80-53-44(69)39(64)36(61)24(3)75-53/h9,22-27,29-55,59-72H,10-21H2,1-8H3/t22-,23-,24-,25-,26-,27-,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+/m0/s1

InChIKey

PXPMPXBLNGAMNK-NSISWSKSSA-N

Compound name

(3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Related CIDs

• CID 3009287