Name: Versipelostatin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849116
Cas No:477201-98-2
常用名:Versipelostatin
IUPAC:(1S,3R,6R,10R,11R,12R,14R,15E,17S,20S,21S,24R,25S,26S)-11-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6S)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-16,26-diethyl-21,31-dihydroxy-14-(hydroxymethyl)-3,4,6,10,12,18,24-heptamethyl-30-oxapentacyclo[26.2.1.0^{1,6}.0^{17,26}.0^{20,25}]hentriaconta-4,15,18,28(31)-tetraene-23,27,29-trione
IUPAC:(1S,3R,6R,10R,11R,12R,14R,15E,17S,20S,21S,24R,25S,26S)-11-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6S)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-16,26-diethyl-21,31-dihydroxy-14-(hydroxymethyl)-3,4,6,10,12,18,24-heptamethyl-30-oxapentacyclo[26.2.1.0^{1,6}.0^{17,26}.0^{20,25}]hentriaconta-4,15,18,28(31)-tetraene-23,27,29-trione
InChI key:GYHNNYHTWLMRSY-JIIJSNNISA-N

分子式:C61H94O17
分子量:1099.406
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C=C(C)[C@@]3([H])\C(CC)=C\[C@H](CO)C[C@@H](C)[C@H](O[C@H]4C[C@H](O)[C@H](O[C@H]5C[C@H](OC)[C@@H](O[C@H]6C[C@H](O)[C@H](O)[C@@H](C)O6)[C@H](C)O5)[C@@H](C)O4)[C@H](C)CCC[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(CC)[C@]1([H])[C@@H](C)C(=O)C[C@@H]2O
SMILES:[H][C@]12C=C(C)[C@@]3([H])\C(CC)=C\[C@H](CO)C[C@@H](C)[C@H](O[C@H]4C[C@H](O)[C@H](O[C@H]5C[C@H](OC)[C@@H](O[C@H]6C[C@H](O)[C@H](O)[C@@H](C)O6)[C@H](C)O5)[C@@H](C)O4)[C@H](C)CCC[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(CC)[C@]1([H])[C@@H](C)C(=O)C[C@@H]2O

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