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Amb35816064

Duplicate ID
Molecule Name Etoposide D-glucuronide
SmilesCC1OC2C(CO1)OC(O[C@@H]1[C@@H]3COC(=O)[C@H]3[C@H](c3cc4OCOc4cc31)c1cc(OC)c(C[C@H]3OC([C@H](O)[C@H](O)C3O)C(O)=O)c(c1)OC)C(O)C2O
InchiKeyUDQRCQMNUQCRMX-RMLGWUGSSA-N
InChi InChI=1S/C36H42O18/c1-12-47-10-23-32(51-12)29(40)30(41)36(53-23)54-31-15-7-21-20(49-11-50-21)6-14(15)24(25-17(31)9-48-35(25)44)13-4-18(45-2)16(19(5-13)46-3)8-22-26(37)27(38)28(39)33(52-22)34(42)43/h4-7,12,17,22-33,36-41H,8-11H2,1-3H3,(H,42,43)/t12?,17-,22-,23?,24+,25-,26?,27-,28-,29?,30?,31+,32?,33?,36?/m1/s1
Formula C36H42O18
Molecular weight 762.708
Rings 8
logP -0.8898
PSA 247.82
MR 175.121
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