b-D-吡喃葡萄糖苷,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-六氢-1a-(羟甲基)-6-甲氧基氧杂戊并[4,5]环戊基[1,2-c]吡喃-2-基6-O-b-D-吡喃木糖基-(9CI) | 149155-50-0
b-D-吡喃葡萄糖苷,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-六氢-1a-(羟甲基)-6-甲氧基氧杂戊并[4,5]环戊基[1,2-c]吡喃-2-基6-O-b-D-吡喃木糖基-(9CI)
b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-2-yl6-O-b-D-xylopyranosyl- (9CI)
149155-50-0
C21H32O14
508.47038
名称和标识符
InChIKey |
LOKOJGZZDJOXCS-UHFFFAOYSA-N |
Inchi |
InChI=1S/C21H32O14/c1-29-16-7-2-3-30-18(10(7)21(6-22)17(16)35-21)34-20-15(28)13(26)12(25)9(33-20)5-32-19-14(27)11(24)8(23)4-31-19/h2-3,7-20,22-28H,4-6H2,1H3 |
SMILES |
OC1COC(OCC2OC(OC3OC=CC4C3C3(OC3C4OC)CO)C(O)C(O)C2O)C(O)C1O |
别名信息
- 英文别名 -
- b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-2-yl6-O-b-D-xylopyranosyl- (9CI)
- 2-[[1a-(hydroxymethyl)-6-methoxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
- b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-met...
- b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno[4,5]cyclopenta[1,2-
- (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-Hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno(4,5)cyclopenta(1,2-c)pyran-2-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
- 1a,1b,2,5a,6,6a-Hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno(4,5)cyclopenta(1,2-c)pyran-2-yl 6-O-beta-D-xylopyranosyl-beta-D-Glucopyranoside (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
- 6'-O-(beta-D-Xylopyranosyl)methylcatalpol
- Karsoside
- 1a-(Hydroxymethyl)-6-methoxy-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl 6-O-pentopyranosylhexopyranoside
- beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-methoxyoxireno(4,5)cyclopenta(1,2-c)pyran-2-yl 6-O-beta-D-xylopyranosyl-, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
- DTXSID00933561
- 2-[[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
- 149155-50-0
- AKOS040752236
- karsoside
物化性质
实验特性
折射率 |
1.651 |
沸点 |
776.2°Cat760mmHg |
闪点 |
423.2°C |
密度 |
1.66 |
计算特性
精确分子量 |
508.179 |
氢键供体数量 |
7 |
氢键受体数量 |
14 |
可旋转化学键数量 |
7 |
同位素质量 |
508.179 |
重原子数量 |
35 |
复杂度 |
783 |
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 |
15 |
确定化学键立构中心数量 |
0 |
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) |
-4.8 |
拓扑分子极性表面积 |
210Ų |
b-D-吡喃葡萄糖苷,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-六氢-1a-(羟甲基)-6-甲氧基氧杂戊并[4,5]环戊基[1,2-c]吡喃-2-基6-O-b-D-吡喃木糖基-(9CI)推荐生产厂家