105650-12-2

Structural Information

Molecular Formula

C₇₇H₇₉Cl₃N₈O₃₀

SMILES

CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)C(C(C(=O)NC(C(=O)N6)C9=CC(=C(C=C9)O)Cl)NC(=O)C(C1=CC=C(C=C1)O)NC)OC1C(C(C(C(O1)CO)O)O)O)Cl)OC1C(C(C(C(O1)CO)O)O)O)OC1=C(C=C2C=C1)Cl)O)C(=O)O)N)O

InChI

InChI=1S/C77H79Cl3N8O30/c1-26-59(96)40(81)23-50(111-26)116-66-30-7-13-44(38(79)17-30)112-46-19-32-20-47(68(46)118-77-65(102)63(100)61(98)49(25-90)115-77)113-45-14-8-31(18-39(45)80)67(117-76-64(101)62(99)60(97)48(24-89)114-76)58(87-69(103)52(82-2)27-3-9-33(91)10-4-27)73(107)84-54(29-6-12-42(94)37(78)16-29)70(104)85-55(32)72(106)83-53-28-5-11-41(93)35(15-28)51-36(21-34(92)22-43(51)95)56(75(109)110)86-74(108)57(66)88-71(53)105/h3-22,26,40,48-50,52-67,76-77,82,89-102H,23-25,81H2,1-2H3,(H,83,106)(H,84,107)(H,85,104)(H,86,108)(H,87,103)(H,88,105)(H,109,110)

InChIKey

ZRPIIHCQSYHVEJ-UHFFFAOYSA-N

Compound name

2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5,15-dichloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[[2-(4-hydroxyphenyl)-2-(methylamino)acetyl]amino]-20,23,26,42,44-pentaoxo-18,48-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

Related CIDs

• CID 16131160