2-(Hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3-O-acetyl-6-deoxy-2-O-[3-(4-methoxyphenyl)prop-2-enoyl]hexopyranoside
2-(Hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3-O-acetyl-6-deoxy-2-O-[3-(4-methoxyphenyl)prop-2-enoyl]hexopyranoside · CAS 125353-53-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-(Hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3-O-acetyl-6-deoxy-2-O-[3-(4-methoxyphenyl)prop-2-enoyl]hexopyranoside
- CAS
- 125353-53-9
- CID
- 158025
- IUPAC 名称
- [4-acetyloxy-5-hydroxy-2-[[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-(Hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3-O-acetyl-6-deoxy-2-O-[3-(4-methoxyphenyl)prop-2-enoyl]hexopyranoside
- CAS
- 125353-53-9
- CID
- 158025
- IUPAC 名称
- [4-acetyloxy-5-hydroxy-2-[[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate
分子属性
- 分子式
- C33H42O17
- 分子量
- 710.7 g/mol
- 精确质量
- 710.24219987 Da
- 单同位素质量
- 710.24219987 Da
- XLogP
- -1.1
- 极性表面积
- 242 Ų
- 氢键供体
- 6
- 氢键受体
- 17
- 可旋转键
- 13
- 重原子数
- 50
- 净电荷
- 0
- 结构复杂度
- 1250
结构标识
- InChIKey
- AUVKOEQGZIDTGI-UHFFFAOYSA-N
- SMILES
- CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C=CC6=CC=C(C=C6)OC)OC(=O)C)O
- InChI
- InChI=1S/C33H42O17/c1-14-22(38)27(45-15(2)36)28(47-20(37)9-6-16-4-7-17(42-3)8-5-16)32(44-14)48-26-18-10-11-43-30(21(18)33(13-35)29(26)50-33)49-31-25(41)24(40)23(39)19(12-34)46-31/h4-11,14,18-19,21-32,34-35,38-41H,12-13H2,1-3H3