[3,5-Dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] 5-(3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoate
[3,5-Dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] 5-(3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoate · CAS 142449-94-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [3,5-Dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] 5-(3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoate
- CAS
- 142449-94-3
- CID
- 74978363
- IUPAC 名称
- [3,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] 5-(3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [3,5-Dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] 5-(3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoate
- CAS
- 142449-94-3
- CID
- 74978363
- IUPAC 名称
- [3,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] 5-(3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoate
分子属性
- 分子式
- C43H52O20
- 分子量
- 888.9 g/mol
- 精确质量
- 888.30519404 Da
- 单同位素质量
- 888.30519404 Da
- XLogP
- 0.9
- 极性表面积
- 310 Ų
- 氢键供体
- 10
- 氢键受体
- 20
- 可旋转键
- 13
- 重原子数
- 63
- 净电荷
- 0
- 结构复杂度
- 1750
结构标识
- InChIKey
- LOZSDYKADWUMPL-UHFFFAOYSA-N
- SMILES
- CC(=CC(=O)OC1C(C(OC(C1O)OC2=CC=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)OC)O)OC5C(C(C(C(O5)CO)O)O)O)CO)O)C=CC6(C7(CC(CC6(OC7)C)O)C)O
- InChI
- InChI=1S/C43H52O20/c1-19(9-10-43(55)41(2)14-21(46)15-42(43,3)57-18-41)11-28(48)62-37-31(50)27(17-45)61-40(35(37)54)58-22-7-5-20(6-8-22)36-38(63-39-34(53)33(52)30(49)26(16-44)60-39)32(51)29-24(47)12-23(56-4)13-25(29)59-36/h5-13,21,26-27,30-31,33-35,37,39-40,44-47,49-50,52-55H,14-18H2,1-4H3