canSAR1087465
FEATURES
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NAMES
    SMILES
    CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)NCC(=O)NCO[C@@H]5O[C@@H](COCO[C@@H]6O[C@@H](COCO[C@@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C54H90N2O22/c1-27(2)7-6-8-28(3)32-11-12-33-31-10-9-29-19-30(15-17-53(29,4)34(31)16-18-54(32,33)5)75-40(60)14-13-38(58)55-20-39(59)56-24-72-50-47(67)45(65)42(62)36(77-50)22-70-26-74-52-49(69)46(66)43(63)37(78-52)23-71-25-73-51-48(68)44(64)41(61)35(21-57)76-51/h9,27-28,30-37,41-52,57,61-69H,6-8,10-26H2,1-5H3,(H,55,58)(H,56,59)/t28-,30+,31+,32-,33+,34+,35+,36+,37+,41+,42+,43+,44-,45-,46-,47+,48+,49+,50-,51-,52-,53+,54-/m1/s1
    MOLECULAR FORMULA
    C54H90N2O22
    CROSS REFERENCES
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    canSAR1087465
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1118.60
    AlogP-0.68
    HBond donors12
    HBond acceptors24
    Atoms168
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087465.