Name: PNU-159682
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212672880
Cas No:202350-68-3
常用名:PNU-159682
IUPAC:(8S,10S)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0^{2,7}]tridecan-4-yl]oxy}-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
IUPAC:(8S,10S)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0^{2,7}]tridecan-4-yl]oxy}-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
InChI key:SLURUCSFDHKXFR-WWMWMSKMSA-N

分子式:C32H35NO13
分子量:641.626
氢键供体数 (HBD):4
氢键受体数 (HBA):14
LogP:3.1776834
SMILES:CO[C@H]1OCCN2[C@H]3C[C@H](O[C@H]4C[C@@](O)(Cc5c(O)c6C(=O)c7cccc(OC)c7C(=O)c6c(O)c45)C(=O)CO)O[C@@H](C)[C@H]3O[C@H]12
SMILES:CO[C@H]1OCCN2[C@H]3C[C@H](O[C@H]4C[C@@](O)(Cc5c(O)c6C(=O)c7cccc(OC)c7C(=O)c6c(O)c45)C(=O)CO)O[C@@H](C)[C@H]3O[C@H]12

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