ACETANNIN ,1397-74-6 _Chemical Cloud Database

ACETANNIN

Basic Information
Product Name：	ACETANNIN
CAS：	1397-74-6
English Synonyms：	ACETANNIN
MDL Number.：	MFCD17676137
H bond acceptor：	48
H bond donor：	23
Smile：	CC(=O)Oc1cc(cc(c1OC(=O)C)O)C(=O)Oc2cc(cc(c2O)O)C(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)OC(=O)c9cc(c(c(c9)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O
InChi：	InChI=1S/C80H56O48/c1-24(81)117-55-22-35(16-49(96)66(55)118-25(2)82)75(111)123-54-21-34(15-48(95)65(54)105)79(115)128-80-69(127-78(114)33-14-47(94)64(104)53(20-33)122-74(110)29-9-42(89)60(100)43(90)10-29)68(126-77(113)32-13-46(93)63(103)52(19-32)121-73(109)28-7-40(87)59(99)41(88)8-28)67(125-76(112)31-12-45(92)62(102)51(18-31)120-72(108)27-5-38(85)58(98)39(86)6-27)56(124-80)23-116-70(106)30-11-44(91)61(101)50(17-30)119-71(107)26-3-36(83)57(97)37(84)4-26/h3-22,56,67-69,80,83-105H,23H2,1-2H3/t56-,67-,68+,69-,80?/m1/s1
InChiKey：	InChIKey=CUGGVYGZPJHFRL-UXSQTUSGSA-N

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