O-b-d-glucopyranosyl-(1->3)-o-2-(acetylamino)-2-deoxy-b-d-glucopyranosyl-(1->3)-o-[6-deoxy-a-l-galactopyranosyl-(1->4)]-o-b-d-galactopyranosyl-(1->4)-o-[6-deoxy-a-l-galactopyranosyl-(1->3)]-d-glucose

Structural Information

Molecular Formula

C₃₉H₆₇NO₂₈

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O[C@@H]2C[C@@H]([C@@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)OC5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)CO)O)O)O

InChI

InChI=1S/C39H67NO28/c1-10-20(49)25(54)28(57)37(60-10)65-31-13(5-41)4-16(62-32(14(47)6-42)33(15(48)7-43)66-38-29(58)26(55)21(50)11(2)61-38)23(52)35(31)68-36-19(40-12(3)46)34(24(53)18(9-45)63-36)67-39-30(59)27(56)22(51)17(8-44)64-39/h7,10-11,13-39,41-42,44-45,47-59H,4-6,8-9H2,1-3H3,(H,40,46)/t10-,11-,13+,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-/m0/s1

InChIKey

RNJJNIREQYKQIV-QDGYNRPDSA-N

Compound name

N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-[(1R,2S,3R,5R,6S)-2-hydroxy-5-(hydroxymethyl)-6-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Related CIDs

• CID 22833585