기본 정보
- CAS
80325-22-0- 표준 SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C- InChIKey
YNBYFOIDLBTOMW-IPTBNLQOSA-N- 분자식
- C41H70O12
- 평균 분자량
- 755 g/mol
- 단동위원소 질량
- 754.48672766
개요
Ginsenoside Mx is a ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions and in which the hydroxy group at position 20 has been converted to the corresponding beta-D-xylopyranosyl-beta-D-glucopyranoside. It has a role as an antineoplastic agent and a plant metabolite. It is a 3beta-hydroxy-4,4-dimethylsteroid, a beta-D-glucoside, a tetracyclic triterpenoid, a disaccharide derivative and a ginsenoside. It is functionally related to a (20S)-protopanaxadiol. It derives from a hydride of a dammarane.
이름 및 식별자
- 우선 이름
- ginsenoside Mx
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
- 영어명
- Gypenoside XIII
- 분자식
- C41H70O12
- 분자량
- 754.99
이름 및 동의어
ginsenoside MxCHEBI:77490(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol20-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy]dammar-24-ene-3beta,12-diol(3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside20-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy)dammar-24-ene-3beta,12-diol(2S,3R,4S,5S,6R)-2-((2S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triolRefChem:143216Gypenoside XIII80325-22-0orb1707937orb3140144
이름 더 보기
Gypenoside XIII (Standard)β-D-Glucopyranoside, (3β,12β)-3,12-dihydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,320
물리화학적 성질
- 녹는점
- 162.5 · 162.5-165 °C(Solv: methanol (67-56-1); ethyl acetate (141-78-6))
- 끓는 점
- 845.9 · 845.9±65.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.91 · 12.91±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사29 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
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