CNP0118961.0
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10-[3-[4-[5-[4,5-dihydroxy-3-[3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyloxy]-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChI=1S/C68H102O27/c1-30-44(72)49(77)52(80)57(88-30)86-28-38-47(75)50(78)56(93-43(71)16-12-32-11-14-37(84-10)35(69)25-32)61(90-38)91-39-29-87-58(51(79)48(39)76)94-54-45(73)31(2)89-59(53(54)81)95-55-46(74)36(70)27-85-60(55)92-42-18-19-65(7)40(64(42,5)6)17-20-67(9)41(65)15-13-33-34-26-63(3,4)21-23-68(34,62(82)83)24-22-66(33,67)8/h11-14,16,25,30-31,34,36,38-42,44-61,69-70,72-81H,15,17-24,26-29H2,1-10H3,(H,82,83)
XKQJWSFVPZOSNW-UHFFFAOYSA-N
COC1=CC=C(C=CC(=O)OC2C(OC3COC(OC4C(O)C(C)OC(OC5C(OC6CCC7(C)C(CCC8(C)C7CC=C7C9CC(C)(C)CCC9(C(=O)O)CCC78C)C6(C)C)OCC(O)C5O)C4O)C(O)C3O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)C=C1O
Murcko
Framework
O1CCCCC1OCC2OC(OC3COC(OC4CCOC(OC5CCCOC5OC6CCC7C(CCC8C9C(=CCC87)C%10CCCCC%10CC9)C6)C4)CC3)C(OCC=Cc%11ccccc%11)CC2