阿扎霉素F4a
Azalomycin F4 · CAS 81545-42-8
- 中文名
- 阿扎霉素F4a
- 中文别名
- 暂无
- 英文名
- Azalomycin F4
- CAS
- 81545-42-8
- CID
- 139589349
- IUPAC 名称
- 3-[[(1R,3S,5R,7S,9S,10E,12E,14R,15R,18Z,20E,22S,23R,25S,26R,27S,30R,31R,33R,34S,35R)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E,2S)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
名称与编号
- 中文名
- 阿扎霉素F4a
- 中文别名
- 暂无
- 英文名
- Azalomycin F4
- CAS
- 81545-42-8
- CID
- 139589349
- IUPAC 名称
- 3-[[(1R,3S,5R,7S,9S,10E,12E,14R,15R,18Z,20E,22S,23R,25S,26R,27S,30R,31R,33R,34S,35R)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E,2S)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
分子属性
- 分子式
- C56H95N3O17
- 分子量
- 1082.4 g/mol
- 精确质量
- 1081.66614857 Da
- 单同位素质量
- 1081.66614857 Da
- XLogP
- 4.2
- 极性表面积
- 352 Ų
- 氢键供体
- 13
- 氢键受体
- 18
- 可旋转键
- 14
- 重原子数
- 76
- 净电荷
- 0
- 结构复杂度
- 1930
结构标识
- InChIKey
- VVTOEWSNSYMJKD-FRNCAYOWSA-N
- SMILES
- C[C@@H]1CC[C@@H]([C@H]([C@H](C[C@H]([C@H](/C=C/C=C(\C(=O)O[C@@H]([C@@H](/C=C/C=C(/[C@H](C[C@@H](C[C@H](C[C@H](C[C@@H]2C[C@H]([C@@H]([C@](O2)(C[C@H]1O)O)O)O)O)OC(=O)CC(=O)O)O)O)\C)C)[C@@H](C)CCC/C=C/CCCNC(=NC)N)/C)C)O)O)C)O
- InChI
- InChI=1S/C56H95N3O17/c1-33-18-15-20-37(5)52(36(4)17-13-11-9-10-12-14-24-59-55(57)58-8)75-54(72)38(6)21-16-19-34(2)46(64)30-47(65)39(7)44(62)23-22-35(3)49(67)32-56(73)53(71)48(66)29-43(76-56)27-40(60)25-42(26-41(61)28-45(33)63)74-51(70)31-50(68)69/h9-10,15-16,18-21,34-37,39-49,52-53,60-67,71,73H,11-14,17,22-32H2,1-8H3,(H,68,69)(H3,57,58,59)/b10-9+,19-16+,20-15+,33-18+,38-21-/t34-,35+,36-,37+,39+,40+,41+,42-,43+,44-,45-,46+,47-,48+,49+,52+,53-,56+/m0/s1