AGAVASAPONIN H

pro_cas
76689-28-6
pro_cdbregno
CCD08091461
pro_formula
C68 H112 O37
pro_molWeight
1521.6

basic_info

Product_Name: AGAVASAPONIN H
CAS: 76689-28-6
EnglishSynonyms: AGAVASAPONIN H
pro_mdlNumber: MFCD01725574
pro_acceptors: 37
pro_donors: 21
pro_smile: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChi: InChI=1S/C68H112O37/c1-22(20-91-59-49(85)44(80)41(77)33(16-69)96-59)9-12-68(90)23(2)38-32(105-68)14-30-28-8-7-26-13-27(10-11-66(26,5)29(28)15-37(74)67(30,38)6)95-63-52(88)46(82)55(35(18-71)98-63)101-64-53(89)47(83)56(36(19-72)99-64)102-65-58(104-60-48(84)40(76)31(73)21-92-60)57(42(78)34(17-70)97-65)103-62-51(87)45(81)54(25(4)94-62)100-61-50(86)43(79)39(75)24(3)93-61/h22-36,38-65,69-73,75-90H,7-21H2,1-6H3/t22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,36-,38+,39+,40+,41-,42-,43-,44+,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,55+,56-,57+,58-,59-,60+,61+,62+,63-,64+,65+,66+,67-,68-/m1/s1
InChiKey: InChIKey=IMDVEXVWVKJLBU-BYSQVQESSA-N

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