Name: Otophylloside B 4'''-O-beta-D-oleandropyranoside
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213885025
Cas No:168001-54-5
常用名:Otophylloside B 4'''-O-beta-D-oleandropyranoside
常用名:Otophylloside B 4'''-O-beta-D-oleandropyranoside
别名:耳叶草苷 B 4'''-O-β-D-烯雄吡喃糖苷
IUPAC:(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-1,3a,3b-trihydroxy-7-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl (2E)-3,4-dimethylpent-2-enoate
IUPAC:(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-1,3a,3b-trihydroxy-7-{[(2R,4S,5R,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl (2E)-3,4-dimethylpent-2-enoate
InChI key:YUDOHRCAEPBFBO-VWBWVSKCSA-N

分子式:C56H90O19
分子量:1067.317
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@H]2OC)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC)O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](OC(=O)\C=C(/C)C(C)C)[C@]5(C)[C@@](O)(CC[C@]5(O)[C@]4(O)CC=C3C2)C(C)=O)O[C@H](C)[C@H]1O |c:69|
SMILES:CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@H]2OC)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC)O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](OC(=O)\C=C(/C)C(C)C)[C@]5(C)[C@@](O)(CC[C@]5(O)[C@]4(O)CC=C3C2)C(C)=O)O[C@H](C)[C@H]1O |c:69|

Otophylloside B 4'''-O-beta-D-oleandropyranoside是一种天然的C21甾体苷，对5种人肿瘤细胞系（HL-60、SMMC-7721、A-549、MCF-7 和 SW480）具有微摩尔级别的体外抑制活性，IC50= 12.2~＞40 μM。

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