Prestwick0_000517

Molecular Formula: C47H75NO17


InChI: InChI=1/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/t27-,28-,29-,30u,31?,32?,33?,34?,35?,36?,37?,38?,40u,41?,42+,43?,44?,46?,47+/m0/s1/f/h59H

InChIKey: InChIKey=VQOXZBDYSJBXMA-TYRBUPHTDI
SMILES: CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O

Names:
    Prestwick0_000517
    (1S,15S,16R,17R,18S)-33-(4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl)oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid

Registries:
    PubChem CID 6713945
    PubChem ID 11466545