Hyponine D
Hyponine D · CAS 259823-31-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Hyponine D
- CAS
- 259823-31-9
- CID
- 44593669
- IUPAC 名称
- [(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22-triacetyloxy-20-(acetyloxymethyl)-24-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] pyridine-3-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Hyponine D
- CAS
- 259823-31-9
- CID
- 44593669
- IUPAC 名称
- [(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22-triacetyloxy-20-(acetyloxymethyl)-24-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] pyridine-3-carboxylate
分子属性
- 分子式
- C47H50N2O18
- 分子量
- 930.9 g/mol
- 精确质量
- 930.30586275 Da
- 单同位素质量
- 930.30586275 Da
- XLogP
- 2.7
- 极性表面积
- 266 Ų
- 氢键供体
- 1
- 氢键受体
- 20
- 可旋转键
- 15
- 重原子数
- 67
- 净电荷
- 0
- 结构复杂度
- 1960
结构标识
- InChIKey
- BDKQPFFHSCFTQW-UWRKWEHLSA-N
- SMILES
- CC1C(C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C7=CN=CC=C7)C
- InChI
- InChI=1S/C47H50N2O18/c1-23-24(2)40(54)66-37-35(64-42(56)30-16-12-18-48-20-30)39(63-28(6)53)46(22-59-25(3)50)38(62-27(5)52)34(61-26(4)51)32-36(65-41(55)29-14-10-9-11-15-29)47(46,45(37,8)58)67-44(32,7)21-60-43(57)31-17-13-19-49-33(23)31/h9-20,23-24,32,34-39,58H,21-22H2,1-8H3/t23?,24?,32-,34-,35+,36-,37+,38-,39+,44+,45+,46-,47+/m1/s1