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苦丁冬青苷D | 173792-61-5

苦丁冬青苷D结构式图片|173792-61-5结构式图片
中文名称:苦丁冬青苷D
英文名称:(1S,4S,5R,8R,10S,13S,14R,19S)-19-Hydroxy-10-[(2S,3R,4S,5R)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosa-15,17-dien-22-one
CAS No.:173792-61-5 分子式:C47H72O17 分子量:909.0644
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:苦丁冬青苷D结构式
价格行情:苦丁冬青苷D价格
名称和标识符
Inchi 1S/C47H72O17/c1-21-28(50)30(52)32(54)37(59-21)63-35-34(62-38-33(55)31(53)29(51)24(19-48)60-38)23(49)20-58-39(35)61-27-12-13-42(4)25(41(27,2)3)11-14-44(6)26(42)10-9-22-36-46(8,57)45(7)16-18-47(36,40(56)64-45)17-15-43(22,44)5/h9-10,21,23-35,37-39,48-55,57H,11-20H2,1-8H3/t21-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+,37-,38-,39-,42-,43+,44+,45?,46-,47-/m0/s1
InChIKey ROLIIKCIEQNTMT-IKGXGZECSA-N
SMILES O1C([C@@]23C([H])([H])C([H])([H])C1(C([H])([H])[H])[C@](C([H])([H])[H])(C2=C1C([H])=C([H])[C@]2([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C3([H])[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O1)O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])O[C@@]1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H])=O
别名信息
- 中文别名 -
苦丁冬青苷D 苦丁茶冬青苷D 苦丁冬青甙 D
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- 英文别名 -
Kudinoside D (3beta)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1→2)-O-[beta-D-glucopyranosyl-(1→3)]-alpha-L-arabinopyranosyl)oxy]-19,20-dihydroxy-ursa-11,13(18)-dien-28-oic acid delta-lactone (1S,4S,5R,8R,10S,13S,14R,19S)-19-Hydroxy-10-[(2S,3R,4S,5R)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihy
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物化性质
 计算特性
氢键供体数量 9
氢键受体数量 17
重原子数量 64
可旋转化学键数量 7
复杂度 1890
拓扑分子极性表面积 264
 实验特性
颜色与性状 Powder
密度 1.43±0.1 g/cm3 (20 ºC 760 Torr),
溶解度 Insuluble (1.8E-3 g/L) (25 ºC),
化合物详情(旧版)

物理化学性质


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