Tylonolide, 20-deoxo-5-O-[3,6-dideoxy-3-(dimethylamino)--D-glucopyranosyl]-20-(1-piperidinyl)-
Tylonolide, 20-deoxo-5-O-[3,6-dideoxy-3-(dimethylamino)--D-glucopyranosyl]-20-(1-piperidinyl)- · CAS 1003024-01-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Tylonolide, 20-deoxo-5-O-[3,6-dideoxy-3-(dimethylamino)--D-glucopyranosyl]-20-(1-piperidinyl)-
- CAS
- 1003024-01-8
- CID
- 138988111
- IUPAC 名称
- (4R,5S,6S,7R,9R,11E,13Z,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-7-(2-piperidin-1-ylethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Tylonolide, 20-deoxo-5-O-[3,6-dideoxy-3-(dimethylamino)--D-glucopyranosyl]-20-(1-piperidinyl)-
- CAS
- 1003024-01-8
- CID
- 138988111
- IUPAC 名称
- (4R,5S,6S,7R,9R,11E,13Z,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-7-(2-piperidin-1-ylethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
分子属性
- 分子式
- C36H62N2O9
- 分子量
- 666.9 g/mol
- 精确质量
- 666.44553156 Da
- 单同位素质量
- 666.44553156 Da
- XLogP
- 2.7
- 极性表面积
- 149 Ų
- 氢键供体
- 4
- 氢键受体
- 11
- 可旋转键
- 8
- 重原子数
- 47
- 净电荷
- 0
- 结构复杂度
- 1050
结构标识
- InChIKey
- ABAAFZDFQGVJIM-LERSAIHRSA-N
- SMILES
- CC[C@@H]1[C@H](/C=C(\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3CCCCC3)C)/C)CO
- InChI
- InChI=1S/C36H62N2O9/c1-8-30-27(21-39)18-22(2)12-13-28(40)23(3)19-26(14-17-38-15-10-9-11-16-38)35(24(4)29(41)20-31(42)46-30)47-36-34(44)32(37(6)7)33(43)25(5)45-36/h12-13,18,23-27,29-30,32-36,39,41,43-44H,8-11,14-17,19-21H2,1-7H3/b13-12+,22-18-/t23-,24+,25-,26+,27-,29-,30-,32+,33-,34-,35-,36+/m1/s1