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Perennisoside I
FEATURES
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NAMES
  • Perennisoside I
SMILES
CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChI
InChI=1S/C52H82O21/c1-23-33(57)36(60)38(62)43(68-23)72-41-40(71-44-39(63)37(61)34(58)29(20-53)69-44)35(59)30(21-66-24(2)54)70-45(41)73-46(65)52-16-14-47(4,5)18-27(52)26-10-11-32-48(6)19-28(56)42(64)49(7,22-67-25(3)55)31(48)12-13-51(32,9)50(26,8)15-17-52/h10,23,27-45,53,56-64H,11-22H2,1-9H3/t23-,27-,28-,29+,30+,31+,32+,33-,34+,35+,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,48-,49-,50+,51+,52-/m0/s1
MOLECULAR FORMULA
C52H82O21
CROSS REFERENCES
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Perennisoside I

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1042.53
AlogP 0.25
HBond donors 10
HBond acceptors 21
Atoms 155
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 Perennisoside I.