Name: Marsdenoside F
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316032
Cas No:858360-61-9
常用名:Marsdenoside F
IUPAC:(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-(acetyloxy)-14-{[(2R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-2-oxapentacyclo[8.8.0.0^{1,3}.0^{3,7}.0^{11,16}]octadecan-9-yl acetate
IUPAC:(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-(acetyloxy)-14-{[(2R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-2-oxapentacyclo[8.8.0.0^{1,3}.0^{3,7}.0^{11,16}]octadecan-9-yl acetate
InChI key:BLRABBHSPXPECV-IYNXUUSNSA-N

分子式:C39H60O14
分子量:752.895
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@]34O[C@@]33CC[C@@H](C(C)=O)[C@@]3(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]4([H])[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1
SMILES:[H][C@@]12CC[C@@]34O[C@@]33CC[C@@H](C(C)=O)[C@@]3(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]4([H])[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1

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