basic_info |
|
Product_Name: | SACCHAROCARCIN A |
CAS: | 158475-32-2 |
EnglishSynonyms: | SACCHAROCARCIN A |
pro_mdlNumber: | MFCD14635441 |
pro_acceptors: | 21 |
pro_donors: | 7 |
pro_smile: | CC[C@@H]1C[C@]23[C@@H](C=C1)/C=C(/[C@H](C(/C=C(/[C@@H]4C=C[C@H]5[C@H]([C@@]4(C(=O)C(=C2O)C(=O)O3)C)[C@H](C[C@@H]([C@@H]5O[C@@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@@H]7C[C@H]([C@@H]([C@H](O7)C)O[C@@H]8C[C@H]([C@@H]([C@H](O8)C)O)O)O)O[C@H]9CC[C@H]([C@@H](O9)C)O)C)C)\C)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)NC(=O)C)(C)O)\C |
InChi: | InChI=1S/C67H101NO20/c1-15-41-16-17-42-24-34(6)57(87-53-29-65(13,77)61(39(11)82-53)68-40(12)69)32(4)22-30(2)44-19-18-43-55(66(44,14)62(74)54-63(75)67(42,28-41)88-64(54)76)31(3)23-33(5)58(43)84-52-27-48(83-49-21-20-45(70)35(7)78-49)60(38(10)81-52)86-51-26-47(72)59(37(9)80-51)85-50-25-46(71)56(73)36(8)79-50/h16-19,22,24,31-33,35-39,41-53,55-61,70-73,75,77H,15,20-21,23,25-29H2,1-14H3,(H,68,69)/b30-22+,34-24+/t31-,32?,33-,35-,36+,37+,38+,39-,41-,42-,43-,44-,45+,46+,47+,48+,49-,50+,51+,52+,53-,55+,56+,57-,58-,59+,60+,61-,65-,66+,67-/m0/s1 |
InChiKey: | InChIKey=NTBGYOJHQPVLKR-IHBMEOGOSA-N |
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