Cas no 144442-85-3 (mimusin)

mimusin structure
mimusin structure
Product Name:mimusin
CAS No:144442-85-3
MF:C64H104O32
MW:1385.49138450623
CID:144886
Update Time:2024-03-01

mimusin Chemical and Physical Properties

Names and Identifiers

    • Olean-12-en-28-oicacid, 3-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-2,6,23-trihydroxy-,O-6-deoxy-a-L-mannopyranosyl-(1
    • 2)-a-L-arabinopyranosyl ester, (2b,3b,4a,6b)-
    • 3)-O-b-D-xylopyranosyl-(1&reg
    • 4)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • ArganinD
    • Arganine D
    • Mimusin
    • Olean-12-en-28-oicacid, 3-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-2,6,23-trihydroxy-,O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • CID 101630488
    • 3β-[[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy]-2β,6β,23-trihydroxyolean-12-en-28-oic acid [2-O-[4-O-[3-O-(α-L-rhamnopyranosyl)-β-D-xylopyranosyl]-α-L-rhamnopyranosyl]-α-L-arabinopyranosyl] ester
    • mimusin
    • Inchi: 1S/C64H104O32/c1-23-34(71)38(75)43(80)54(88-23)93-48-30(70)20-85-53(46(48)83)92-47-24(2)89-55(45(82)41(47)78)94-49-35(72)29(69)19-86-57(49)96-58(84)64-13-11-59(3,4)15-26(64)25-9-10-33-60(5)16-28(68)51(61(6,22-66)50(60)27(67)17-63(33,8)62(25,7)12-14-64)95-56-44(81)40(77)37(74)32(91-56)21-87-52-42(79)39(76)36(73)31(18-65)90-52/h9,23-24,26-57,65-83H,10-22H2,1-8H3/t23-,24-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49+,50+,51-,52+,53-,54-,55-,56-,57-,60+,61-,62+,63+,64-/m0/s1
    • InChI Key: DJCSFRKWBHBHBJ-PWHWVZFRSA-N
    • SMILES: O[C@@H]1C[C@@]2(C)[C@]3(C)CC[C@@]4(C(=O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@H](C)O5)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@H](C)O5)O)O)O)O)O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]2[C@@]2(C)C[C@@H]([C@@H]([C@@](C)(CO)[C@@H]21)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O1)O)O)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 19
  • Hydrogen Bond Acceptor Count: 32
  • Heavy Atom Count: 96
  • Rotatable Bond Count: 16
  • Complexity: 2720
  • Topological Polar Surface Area: 512
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