Name: Imperialine 3-β-D-glucoside
Rating: 5 (10 reviews)

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HIT ID:HIT212665912
Cas No:67968-40-5
常用名:Imperialine 3-β-D-glucoside
别名:西贝母碱苷, Sipeimine-3-beta-D-glucoside
IUPAC:(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosan-17-one
IUPAC:(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosan-17-one
InChI key:DHQFYEJMFMYGCV-DLJWJMOOSA-N

分子式:C33H53NO8
分子量:591.786
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:1.4496944
SMILES:[H][C@@]12C[C@@]3([H])[C@@]([H])(CC(=O)[C@@]4([H])C[C@H](CC[C@]34C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])CC[C@]1([H])[C@@]2([H])CN2C[C@@H](C)CC[C@@]2([H])[C@@]1(C)O
SMILES:[H][C@@]12C[C@@]3([H])[C@@]([H])(CC(=O)[C@@]4([H])C[C@H](CC[C@]34C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])CC[C@]1([H])[C@@]2([H])CN2C[C@@H](C)CC[C@@]2([H])[C@@]1(C)O

Imperialine 3-β-D-glucoside (Sipeimine-3-beta-D-glucoside) 是 Imperialine 的糖苷。它对多重耐药肿瘤细胞表现出抗肿瘤特性。

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