Name: 10-Deacetyl-7-xylosyl paclitaxel
Rating: 5 (10 reviews)

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HIT ID:HIT212655737
Cas No:90332-63-1
常用名:10-Deacetyl-7-xylosyl paclitaxel
常用名:10-Deacetyl-7-xylosyl paclitaxel
别名:7-木糖甙-10-脱乙酰基紫杉醇, 7-Xylosyl-10-deacetyltaxol, 10-Deacetyltaxol 7-Xyloside, 10-Deacetylpaclitaxel 7-Xyloside, 10-Deacetyl-7-xylosyltaxol
别名:7-木糖甙-10-脱乙酰基紫杉醇, 7-Xylosyl-10-deacetyltaxol, 10-Deacetyltaxol 7-Xyloside, 10-Deacetylpaclitaxel 7-Xyloside, 10-Deacetyl-7-xylosyltaxol
IUPAC:(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-9-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC:(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-9-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
InChI key:ORKLEZFXASNLFJ-DYLQFHMVSA-N

分子式:C50H57NO17
分子量:943.996
氢键供体数 (HBD):7
氢键受体数 (HBA):14
LogP:1.9572139
SMILES:[H][C@@]12C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:21|
SMILES:[H][C@@]12C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:21|

10-Deacetyl-7-xylosyl paclitaxel (7-Xylosyl-10-deacetyltaxol) 是一种紫杉醇衍生物，具有改进的药理特性和更高的水溶性，用于治疗癌症。

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