Name: Glaucoside C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317349
Cas No:81474-89-7
常用名:Glaucoside C
IUPAC:(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-{[(2R,4R,5S,6S)-5-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0^{4,13}.0^{5,10}.0^{19,22}]docosa-1(21),10-dien-14-one
IUPAC:(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-{[(2R,4R,5S,6S)-5-{[(2S,4S,5S,6R)-4-hydroxy-5-{[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0^{4,13}.0^{5,10}.0^{19,22}]docosa-1(21),10-dien-14-one
InChI key:BRAQGYOYQRQKSH-CLIZTANYSA-N

分子式:C41H62O15
分子量:794.932
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CO[C@]3(C)OC=C(CC[C@@]4([H])[C@@]([H])(CC=C5C[C@@H](O[C@@H]6C[C@@H](OC)[C@@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@@H](OC)[C@@H](O)[C@H](C)O8)[C@@H](C)O7)[C@H](C)O6)[C@H](O)C[C@]45C)C(=O)O1)[C@]23[H] |t:7,16|
SMILES:[H][C@]12CO[C@]3(C)OC=C(CC[C@@]4([H])[C@@]([H])(CC=C5C[C@@H](O[C@@H]6C[C@@H](OC)[C@@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@@H](OC)[C@@H](O)[C@H](C)O8)[C@@H](C)O7)[C@H](C)O6)[C@H](O)C[C@]45C)C(=O)O1)[C@]23[H] |t:7,16|

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