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葳岩仙皂苷 D | 12672-45-6

葳岩仙皂苷 D结构式图片|12672-45-6结构式图片
中文名称:葳岩仙皂苷 D
英文名称:Cauloside D
CAS No.:12672-45-6 分子式:C53H86O22 分子量:1075.2368
植物源: 常春藤  
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:葳岩仙皂苷 D结构式
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葳岩仙皂苷 D的其他展现形式
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积雪草苷 [(2S,3R,4R,5R,6S)-6-[[(2R,3R,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,2S,4aR,6aS,6aR,6bR,8aS,9R,10R,11R,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate CAS No.:16830-15-2
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名称和标识符
Inchi 1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25+,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
InChIKey UEHILKCNLIKLEV-QPMMERAHSA-N
SMILES O([C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O1)O[H])O[H])O[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]5(C(=O)O[C@@]6([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[C@@]7([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O7)O[C@@]7([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O7)O[H])O[H])O[H])O[H])O[H])O6)O[H])O[H])O[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]5([H])C4=C([H])C([H])([H])[C@@]32[H])[C@]1(C([H])([H])[H])C([H])([H])O[H]
别名信息
- 中文别名 -
葳岩仙皂苷 D
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- 英文别名 -
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R Olean-12-en-28-oicacid, 3-(a-L-arabinopyranosyloxy)-23-hydroxy-,O-6-deoxy-a-L-mannopyranosyl-(... [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexam 4)-O-b-D-glucopyranosyl-( 4)-O-b-D-glucopyranosyl-(1&reg 6)-b-D-glucopyranosyl ester, (3b,4a)- Cauloside D kizutasaponin K10 Olean-12-en-28-oicacid, 3-(a-L-arabinopyranosyloxy)-23-hydroxy-,O-6-deoxy-a-L-mannopyranosyl-(1&reg Hederoside G Hederasaponin D Pericarpsaponin PJ3 3β-(α-L-Arabinopyranosyloxy)-23-hydroxyolean-12-en-28-oic acid 6-O-[4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl ester 4N5Z068GAZ Unii-4N5Z068gaz
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物化性质
 计算特性
精确分子量 1074.56000
同位素质量 1074.56107437 g/mol
同位素原子数量 0
氢键供体数量 13
氢键受体数量 22
重原子数量 75
可旋转化学键数量 12
复杂度 2060
共价键单元数量 1
确定原子立构中心数量 28
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
疏水参数计算参考值(XlogP) -0.9
拓扑分子极性表面积 354
分子量 1075.2
 实验特性
PSA 353.90000
LogP -1.39620
化合物 12672-45-6 合成路线 共 2 条合成路线
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