Chromomycin A2 derivative
Molecular Formula:
C55H80O25
InChI: InChI=1/C55H80O25/c1-20-32(76-38-18-35(51(25(6)73-38)75-27(8)57)79-36-15-31(58)50(68-10)24(5)72-36)14-29-12-28-13-30(52(69-11)49(65)44(60)21(2)56)53(48(64)42(28)47(63)41(29)43(20)59)80-39-17-33(45(61)23(4)71-39)77-37-16-34(46(62)22(3)70-37)78-40-19-55(9,67)54(66)26(7)74-40/h12,14,21-26,30-31,33-40,44-46,50-54,56,58-63,66-67H,13,15-19H2,1-11H3/t21-,22u,23u,24u,25u,26u,30+,31?,33?,34?,35?,36?,37?,38?,39?,40?,44+,45?,46?,50?,51?,52+,53+,54?,55?/m1/s1
InChIKey: InChIKey=RQEUIHLBZLSDQY-QLVGLMDOBR
SMILES: CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)O
Names:
Chromomycin A2 derivative
NSC270051
[6-[[(6S,7S)-6-[4-[4-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyl-oxan-2-yl)oxy-2-methyl-oxan-3-yl] acetate
Registries:
PubChem CID 5458533
PubChem ID 8140818
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