(1R)-1,5-脱水-2,6-二脱氧-3-O-{(2S,5S,6S)-5-[(2,6-二脱氧-β-D-赤藓-六吡喃糖基-3-酮糖)氧代]-6-甲基四氢-2H-吡喃-2-基}-1-[(4aR,12bS)-3,4a,8-三羟基-12b-{[(2S,5S,6S)-5-羟基-6-甲基四氢-2H-吡喃-2-基]氧代}-3-甲基-1,7,12-三氧杂
- 中文名称:
- (1R)-1,5-脱水-2,6-二脱氧-3-O-{(2S,5S,6S)-5-[(2,6-二脱氧-β-D-赤藓-六吡喃糖基-3-酮糖)氧代]-6-甲基四氢-2H-吡喃-2-基}-1-[(4aR,12bS)-3,4a,8-三羟基-12b-{[(2S,5S,6S)-5-羟基-6-甲基四氢-2H-吡喃-2-基]氧代}-3-甲基-1,7,12-三氧杂
- 中文别名:
- (1R)-1,5-脱水-2,6-二脱氧-3-O-{(2S,5S,6S)-5-[(2,6-二脱氧-β-D-赤藓-六吡喃糖基-3-酮糖)氧代]-6-甲基四氢-2H-吡喃-2-基}-1-[(4aR,12bS)-3,4a,8-三羟基-12b-{[(2S,5S,6S)-5-羟基-6-甲基四氢-2H-吡喃-2-基]氧代}-3-甲基-1,7,12-三氧杂
- 英文名称:
- Benz[a]anthracene-1,7,12(2H)-trione,9-[2,6-dideoxy-3-O-[(2S,5S,6S)-5-[(2,6-dideoxy-b-D-erythro-hexopyranos-3-ulos-1-yl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-b-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-,(3R,4aR,12bS)- (9CI)
- 英文别名:
- (1R)-1,5-anhydro-2,6-dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-dideoxy-beta-D-erythro-hexopyranosyl-3-ulose)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-1-[(4aR,12bS)-3,4a,8-trihydroxy-12b-{[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-1,7,12-triox;
Benz[a]anthracene-1,7,12(2H)-trione,9-[2,6-dideoxy-3-O-[(2S,5S,6S)-5-[(2,6-dideoxy-b-D-erythro-hexopyranos-3-ulos-1-yl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-b-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-[[(2S,5S,6S)-tetr
- CAS No.:
- 98474-20-5
- 分 子 式:
-
C43H54O17
- 分 子 量:
- 0
- 分子结构式:
-

- SDS:
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(1R)-1,5-脱水-2,6-二脱氧-3-O-{(2S,5S,6S)-5-[(2,6-二脱氧-β-D-赤藓-六吡喃糖基-3-酮糖)氧代]-6-甲基四氢-2H-吡喃-2-基}-1-[(4aR,12bS)-3,4a,8-三羟基-12b-{[(2S,5S,6S)-5-羟基-6-甲基四氢-2H-吡喃-2-基]氧代}-3-甲基-1,7,12-三氧杂 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):9.4
2.氢键供体数量:2
3.氢键受体数量:7
4.可旋转化学键数量:25
5.互变异构体数量:6
6.拓扑分子极性表面积:102
7.重原子数量:44
8.表面电荷:0
9.复杂度:788
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:8
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1