Name: Periplogenin 3-[O-β-glucopyranosyl-(1→4)-β-sarmentopyranoside]
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HIT ID:HIT212665793
Cas No:1253421-94-1
常用名:Periplogenin 3-[O-β-glucopyranosyl-(1→4)-β-sarmentopyranoside]
常用名:Periplogenin 3-[O-β-glucopyranosyl-(1→4)-β-sarmentopyranoside]
别名:异杠柳毒苷, Periplogenin 3-[O-beta-glucopyranosyl-(1->4)-beta-sarmentopyranoside]
别名:异杠柳毒苷, Periplogenin 3-[O-beta-glucopyranosyl-(1->4)-beta-sarmentopyranoside]
IUPAC:4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-3a,5a-dihydroxy-7-{[(2R,4S,5S,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-3a,5a-dihydroxy-7-{[(2R,4S,5S,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
InChI key:KWBPKUMWVXUSCA-LGEKFDLWSA-N

分子式:C36H56O13
分子量:696.831
氢键供体数 (HBD):6
氢键受体数 (HBA):12
LogP:0.88426405
SMILES:CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:31|
SMILES:CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:31|

Periplogenin 3-[O-β-glucopyranosyl-(1→4)-β-sarmentopyranoside] (Periplogenin 3-[O-beta-glucopyranosyl-(1->4)-beta-sarmentopyranoside]) 是从 Periploca sepium 中提取得到的一种卡烯内酯。

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