105650-11-1

Structural Information

Molecular Formula

C₈₃H₈₉Cl₃N₈O₃₄

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)OC1C(C(C(C(O1)C)O)O)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/C83H89Cl3N8O34/c1-27-61(101)42(87)24-52(119-27)126-71-32-8-14-46(40(85)18-32)122-48-20-34-21-49(73(48)128-83-70(110)67(107)64(104)51(26-96)125-83)123-47-15-9-33(19-41(47)86)72(127-82-69(109)66(106)63(103)50(25-95)124-82)60(93-74(111)54(88-3)29-4-10-36(11-5-29)121-81-68(108)65(105)62(102)28(2)120-81)78(115)90-56(31-7-13-44(99)39(84)17-31)75(112)91-57(34)77(114)89-55-30-6-12-43(98)37(16-30)53-38(22-35(97)23-45(53)100)58(80(117)118)92-79(116)59(71)94-76(55)113/h4-23,27-28,42,50-52,54-72,81-83,88,95-110H,24-26,87H2,1-3H3,(H,89,114)(H,90,115)(H,91,112)(H,92,116)(H,93,111)(H,94,113)(H,117,118)

InChIKey

PCGBWZQZOMMXGB-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-(methylamino)-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]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 16131159