Name: Meproscillarin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212717111
Cas No:33396-37-1
常用名:Meproscillarin
别名:Rambufaside, KY-18, KY18, KY 18, Clift
IUPAC:5-[(1R,3aS,3bR,7S,9aR,9bS,11aR)-7-{[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
IUPAC:5-[(1R,3aS,3bR,7S,9aR,9bS,11aR)-7-{[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
InChI key:RKWPZPDLTYBKCL-RVZGXXANSA-N

分子式:C31H44O8
分子量:544.685
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:2.9462903
SMILES:CO[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c2ccc(=O)oc2)[C@H](O)[C@@H]1O |c:29|
SMILES:CO[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c2ccc(=O)oc2)[C@H](O)[C@@H]1O |c:29|

Meproscillarin is a glycoside with high bioavailability (about 70%) and an elimination independent of renal function.

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