耐丝菌素
33-((3-Amino-3,6-dideoxyhexopyranosyl)oxy)-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid · CAS 1400-61-9
- 中文名
- 耐丝菌素
- 中文别名
- 暂无
- 英文名
- 33-((3-Amino-3,6-dideoxyhexopyranosyl)oxy)-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
- CAS
- 1400-61-9
- CID
- 4568
- IUPAC 名称
- 33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
名称与编号
- 中文名
- 耐丝菌素
- 中文别名
- 暂无
- 英文名
- 33-((3-Amino-3,6-dideoxyhexopyranosyl)oxy)-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
- CAS
- 1400-61-9
- CID
- 4568
- IUPAC 名称
- 33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
分子属性
- 分子式
- C47H75NO17
- 分子量
- 926.1 g/mol
- 精确质量
- 925.50349992 Da
- 单同位素质量
- 925.50349992 Da
- XLogP
- -0.2
- 极性表面积
- 320 Ų
- 氢键供体
- 12
- 氢键受体
- 18
- 可旋转键
- 3
- 重原子数
- 65
- 净电荷
- 0
- 结构复杂度
- 1620
结构标识
- InChIKey
- VQOXZBDYSJBXMA-UHFFFAOYSA-N
- SMILES
- CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
- InChI
- InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)