canSAR856492
FEATURES
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NAMES
    SMILES
    C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCCS(=O)(=O)[O-])[C@@H]2CC[C@]1(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C3.[Na+]
    InChI
    InChI=1S/C35H56O16S.Na/c1-18-14-34-10-6-21-32(2,8-4-9-33(21,3)31(43)47-12-5-13-52(44,45)46)22(34)7-11-35(18,17-34)51-30-28(26(41)24(39)20(16-37)49-30)50-29-27(42)25(40)23(38)19(15-36)48-29;/h19-30,36-42H,1,4-17H2,2-3H3,(H,44,45,46);/q;+1/p-1/t19?,20?,21-,22-,23?,24?,25?,26?,27?,28?,29?,30?,32+,33+,34+,35-;/m0./s1
    MOLECULAR FORMULA
    C35H55NaO16S
    CROSS REFERENCES
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    canSAR856492
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight786.31
    AlogP-3.80
    HBond donors7
    HBond acceptors16
    Atoms108
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856492.