10,27-二氧杂双环[21.3.1]七糖-7,13,15,17,19-戊烯-24-羧酸,21-[(3-氨基-3,6-二脱氧-b-D-吡喃甘露糖基)氧基]-12-乙基-1,3,5,25-四羟基-11-甲基-9-氧代-(1R,3S,5S,7E,11R,12S,13E,15E,17E,19E,21R,23S,24R,25S)- | 11076-50-9
10,27-二氧杂双环[21.3.1]七糖-7,13,15,17,19-戊烯-24-羧酸,21-[(3-氨基-3,6-二脱氧-b-D-吡喃甘露糖基)氧基]-12-乙基-1,3,5,25-四羟基-11-甲基-9-氧代-(1R,3S,5S,7E,11R,12S,13E,15E,17E,19E,21R,23S,24R,25S)-
10,27-Dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylicacid, 21-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-12-ethyl-1,3,5,25-tetrahydroxy-11-methyl-9-oxo-,(1R,3S,5S,7E,11R,12S,13E,15E,17E,19E,21R,23S,24R,25S)-
11076-50-9
C35H53NO13
695.79422
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:10,27-二氧杂双环[21.3.1]七糖-7,13,15,17,19-戊烯-24-羧酸,21-[(3-氨基-3,6-二脱氧-b-D-吡喃甘露糖基)氧基]-12-乙基-1,3,5,25-四羟基-11-甲基-9-氧代-(1R,3S,5S,7E,11R,12S,13E,15E,17E,19E,21R,23S,24R,25S)-结构式
名称和标识符
InChIKey |
DVWJFTGEISXVSH-SUQKMLEOSA-N |
Inchi |
InChI=1S/C35H53NO13/c1-4-22-12-9-7-5-6-8-10-14-25(48-34-32(42)30(36)31(41)21(3)47-34)17-27-29(33(43)44)26(39)19-35(45,49-27)18-24(38)16-23(37)13-11-15-28(40)46-20(22)2/h5-12,14-15,20-27,29-32,34,37-39,41-42,45H,4,13,16-19,36H2,1-3H3,(H,43,44)/b7-5-,8-6+,12-9+,14-10+,15-11- |
SMILES |
CCC1C=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2C(C(CC(O2)(O)CC(O)CC(O)CC=CC(=O)OC1C)O)C(=O)O |c:5,40,t:3,7,9| |
别名信息
- 英文别名 -
- 10,27-Dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylicacid, 21-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-12-ethyl-1,3,5,25-tetrahydroxy-11-methyl-9-oxo-,(1R,3S,5S,7E,11R,12S,13E,15E,17E,19E,21R,23S,24R,25S)-
- (7E,13E,15E,17E,19E)-21-(4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl)oxy-12-ethyl-1,3,5,25-tetrahydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid
- 10,27-Dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylicacid, 21-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy
- 10,27-Dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylicacid, 21-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-12-ethyl-1,3,5,25-tetrahydroxy-11-methyl-9-oxo-,(1R,3S,5S,7E,11R,12S,13E,
- 3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-12-ethyl-19,21,23,25-tetrahydroxy-13-methyl-15-oxo-14,27-dioxabicyclo[21.3.1]heptacosa-4,6,8,10,16-pentaene-26-carboxylic acid
- (7E,13E,15E,17E,19E)-21-[(3-amino-3,6-dideoxyhexopyranosyl)oxy]-12-ethyl-1,3,5,25-tetrahydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid
- 24-Demethyl-24-ethyltetrin A
- JA-3789
- Tetramycin
- Tetramycin A
- Tetrin A, 24-demethyl-24-ethyl- (9CI)
- (4E,6E,8E,10E,16E)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-12-ethyl-19,21,23,25-tetrahydroxy-13-methyl-15-oxo-14,27-dioxabicyclo[21.3.1]heptacosa-4,6,8,10,16-pentaene-26-carboxylic acid
- (7E,13E,15E,17E,19E)-21-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-12-ethyl-1,3,5,25-tetrahydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid
- 11076-50-9
- Tetrin A, 24-demethyl-24-ethyl-
物化性质
实验特性
折射率 |
1.604 |
沸点 |
960.2°Cat760mmHg |
闪点 |
534.5°C |
密度 |
1.33 |
计算特性
精确分子量 |
695.351691 |
氢键供体数量 |
8 |
氢键受体数量 |
14 |
可旋转化学键数量 |
4 |
同位素质量 |
695.351691 |
重原子数量 |
49 |
复杂度 |
1220 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
14 |
确定化学键立构中心数量 |
5 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
-0.5 |
拓扑分子极性表面积 |
239 |
10,27-二氧杂双环[21.3.1]七糖-7,13,15,17,19-戊烯-24-羧酸,21-[(3-氨基-3,6-二脱氧-b-D-吡喃甘露糖基)氧基]-12-乙基-1,3,5,25-四羟基-11-甲基-9-氧代-(1R,3S,5S,7E,11R,12S,13E,15E,17E,19E,21R,23S,24R,25S)-推荐生产厂家