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利托霉素A糖苷配基,34-O-[2-(乙酰氨基)-2-脱氧-b-D-吡喃葡萄糖基]-22,31-二氯-7-脱甲基-64-O-脱甲基-19-脱氧-56-O-[2-脱氧-2-[(10-甲基-1-氧代十二烷基)氨基]-b-D-吡喃葡萄糖基]-42-O-A-D-吡喃甘露糖基-(9CI) | 122068-02-4

利托霉素A糖苷配基,34-O-[2-(乙酰氨基)-2-脱氧-b-D-吡喃葡萄糖基]-22,31-二氯-7-脱甲基-64-O-脱甲基-19-脱氧-56-O-[2-脱氧-2-[(10-甲基-1-氧代十二烷基)氨基]-b-D-吡喃葡萄糖基]-42-O-A-D-吡喃甘露糖基-(9CI)结构式图片|122068-02-4结构式图片
利托霉素A糖苷配基,34-O-[2-(乙酰氨基)-2-脱氧-b-D-吡喃葡萄糖基]-22,31-二氯-7-脱甲基-64-O-脱甲基-19-脱氧-56-O-[2-脱氧-2-[(10-甲基-1-氧代十二烷基)氨基]-b-D-吡喃葡萄糖基]-42-O-A-D-吡喃甘露糖基-(9CI)
Ristomycin A aglycone,34-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl- (9CI)
122068-02-4
C90H101Cl2N9O33
1907.71146464348
名称和标识符
InChIKey ASGPRASCWJNSDL-FVXXRXPXSA-N
Inchi 1S/C90H101Cl2N9O33/c1-35(2)10-8-6-4-5-7-9-11-62(110)96-70-76(115)73(112)60(33-103)131-89(70)134-80-57-27-42-28-58(80)128-54-19-15-40(25-49(54)92)79(133-88-69(94-36(3)105)75(114)72(111)59(32-102)130-88)71-86(123)100-68(87(124)125)47-30-44(107)31-56(129-90-78(117)77(116)74(113)61(34-104)132-90)63(47)46-24-39(14-16-51(46)108)65(83(120)101-71)98-85(122)67(42)99-84(121)66-41-22-43(106)29-45(23-41)126-55-26-38(13-17-52(55)109)64(93)82(119)95-50(81(118)97-66)21-37-12-18-53(127-57)48(91)20-37/h12-20,22-31,35,50,59-61,64-79,88-90,102-104,106-109,111-117H,4-11,21,32-34,93H2,1-3H3,(H,94,105)(H,95,119)(H,96,110)(H,97,118)(H,98,122)(H,99,121)(H,100,123)(H,101,120)(H,124,125)/t50-,59-,60-,61-,64-,65-,66+,67-,68+,69-,70-,71+,72-,73-,74-,75-,76-,77+,78+,79-,88+,89+,90+/m1/s1
SMILES O([C@@H]1[C@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C1C=C(O)C=C2[C@]([H])(NC([C@@]3([H])NC(=O)[C@]([H])(NC([C@]4([H])NC([C@@]5([H])NC([C@]([H])(NC([C@H](N)C6C=CC(O)=C(C=6)OC6C=C(O)C=C5C=6)=O)CC5=CC=C(C(=C5)Cl)OC5C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(=O)CCCCCCCCC(C)C)=C(OC6=CC=C(C=C6Cl)[C@H]3O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(=O)C)C=C4C=5)=O)=O)=O)C3=CC=C(O)C(=C3)C=12)=O)C(=O)O
别名信息
- 中文别名 -
- 英文别名 -
  • Ristomycin A aglycone,34-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl- (9CI)
  • Ristomycin A aglycone, 34-O-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-2-deoxy-2-(10-methyl-1-oxoundecyl)amino-.beta.-D-glucopyranosyl-42-O-.
  • Ristomycin A aglycone,34-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-22,31-dichloro-7-demet...
  • Ristomycin A aglycone,34-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O
  • Ristomycin A aglycone,34-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-ma
  • Ristomycin A aglycone, 34-O-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-2-deoxy-2-(10-methyl-1-oxoundecyl)amino-.beta.-D-glucopyranosyl-42-O-.alpha.-D-mannopyranosyl-
  • Ristomycin A aglycone, 34-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosyl- (9CI)
物化性质
实验特性
PSA 63.32
酸度系数(pKa) 2.88±0.40(Predicted)
密度 1.66±0.1 g/cm3(Predicted)
计算特性
精确分子量 89.04771
利托霉素A糖苷配基,34-O-[2-(乙酰氨基)-2-脱氧-b-D-吡喃葡萄糖基]-22,31-二氯-7-脱甲基-64-O-脱甲基-19-脱氧-56-O-[2-脱氧-2-[(10-甲基-1-氧代十二烷基)氨基]-b-D-吡喃葡萄糖基]-42-O-A-D-吡喃甘露糖基-(9CI)推荐生产厂家
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