肉苁蓉苷 A

肉苁蓉苷 A 基本信息
CAS号 93236-42-1 分子式 C36H48O20
分子量 800.75400 精确质量  800.27400
PSA  313.44000 LogP  -2.88870

基本信息 展开↓

CAS号:
93236-42-1
分子式:
C36H48O20
分子量:
800.75400
中文名称:
肉苁蓉苷 A
英文名称:
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
中文别名:
肉苁蓉苷 A;
肉苁蓉苷A
英文别名:
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;
I07-0327;
cistanoside A
精确分子量/精确质量:
800.27400
极性分子表面积/PSA:
313.44000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C36H48O20/c1-15-25(42)27(44)30(47)36(52-15)56-33-31(48)35(50-10-9-17-4-7-19(39)21(12-17)49-2)54-23(14-51-34-29(46)28(45)26(43)22(13-37)53-34)32(33)55-24(41)8-5-16-3-6-18(38)20(40)11-16/h3-8,11-12,15,22-23,25-40,42-48H,9-10,13-14H2,1-2H3/b8-5+/t15-

物化性质展开↓

密度:
1.61 g/cm3
沸点:
1040.1ºC at 760 mmHg
闪点:
318.4ºC
折射率:
1.676

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LZ5901500
CHEMICAL NAME :
Glucopyranoside, 2-(4-hydroxy-3-methoxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl- (1-3)-O-(beta-D-glucopyranosyl-(1-6))-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-
CAS REGISTRY NUMBER :
93236-42-1
LAST UPDATED :
198910
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C36-H48-O20
MOLECULAR WEIGHT :
800.84

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
140 mg/kg
SEX/DURATION :
male 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - other effects on male
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 105,1131,1985
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