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Eryngioside C
FEATURES
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NAMES
  • Eryngioside C
SMILES
C[C@H]1[C@H](CO)O[C@H](O[C@H]2CC(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC(=O)[C@@]23CO)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C55H90O23/c1-23-26(18-56)71-46(42(69)35(23)62)76-34-17-50(2,3)15-25-24-9-10-31-52(6)13-12-33(51(4,5)30(52)11-14-53(31,7)54(24,8)16-32(61)55(25,34)22-60)75-48-44(40(67)37(64)28(20-58)73-48)78-49-45(41(68)38(65)29(21-59)74-49)77-47-43(70)39(66)36(63)27(19-57)72-47/h9,23,25-31,33-49,56-60,62-70H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29+,30-,31+,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,52-,53+,54+,55-/m0/s1
MOLECULAR FORMULA
C55H90O23
CROSS REFERENCES
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Eryngioside C

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1118.59
AlogP -2.14
HBond donors 14
HBond acceptors 23
Atoms 168
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Eryngioside C.