GD2-GANGLIOSIDE LABELLED BY BIOTIN

CAS号
CCD编号
CCD04335711
分子式
C70 H118 N6 O37 S
分子量
1667.77

基本信息

产品名称: GD2-GANGLIOSIDE LABELLED BY BIOTIN
英文同义词: GD2-GANGLIOSIDE LABELLED BY BIOTIN
MDL号: MFCD18643212
氢键受体数量: 43
氢键供体数量: 25
Smile: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O[C@@]4([C@H]([C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O[C@@]5([C@H]([C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)O)C(=O)O)O)NC(=O)C)O)O)C(=O)O)NC(=O)C)O)O)N)OC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7
InChi: InChI=1S/C70H118N6O37S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(104-42(86)22-19-18-21-41-43-34(29-114-41)75-68(102)76-43)33(71)28-103-64-55(95)53(93)56(39(26-80)107-64)108-63-46(74-32(4)84)60(57(40(27-81)106-63)109-65-54(94)52(92)48(88)37(24-78)105-65)113-70(67(100)101)62(97)51(91)45(73-31(3)83)59(112-70)49(89)38(25-79)110-69(66(98)99)61(96)50(90)44(72-30(2)82)58(111-69)47(87)35(85)23-77/h17,20,33-41,43-65,77-81,85,87-97H,5-16,18-19,21-29,71H2,1-4H3,(H,72,82)(H,73,83)(H,74,84)(H,98,99)(H,100,101)(H2,75,76,102)/b20-17+/t33-,34-,35+,36+,37+,38+,39+,40+,41-,43-,44+,45+,46+,47+,48-,49+,50+,51+,52-,53+,54+,55+,56+,57-,58+,59+,60+,61-,62-,63-,64+,65-,69+,70-/m0/s1
InChiKey: InChIKey=PZFXTTXYYJJPNF-QTTJRMQUSA-N

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