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Paniculatumoside E
FEATURES
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NAMES
  • paniculatumoside E
SMILES
CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](C)O[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@H]6C(=O)OC7CO[C@]8(C)OC=C(CC[C@@H]65)[C@H]78)C4)C[C@H]3OC)O[C@@H]2C)O[C@@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChI
InChI=1S/C53H82O24/c1-22-45(74-38-17-32(64-7)47(24(3)69-38)76-51-44(61)42(59)48(34(19-55)73-51)77-50-43(60)41(58)40(57)33(18-54)72-50)30(56)15-36(67-22)75-46-23(2)68-37(16-31(46)63-6)70-27-12-13-52(4)26(14-27)9-10-28-29(52)11-8-25-20-65-53(5)39(25)35(21-66-53)71-49(28)62/h9,20,22-24,27-48,50-51,54-61H,8,10-19,21H2,1-7H3/t22-,23-,24+,27+,28-,29+,30+,31-,32-,33-,34-,35?,36+,37-,38+,39-,40-,41+,42-,43-,44-,45-,46-,47+,48-,50+,51+,52+,53+/m1/s1
MOLECULAR FORMULA
C53H82O24
CROSS REFERENCES
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Paniculatumoside E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1102.52
AlogP -0.32
HBond donors 8
HBond acceptors 24
Atoms 159
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 Paniculatumoside E.