폴리갈라사포닌XXVIII

Polygalasaponin Xxviii

HCID 197711CAS 176182-01-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(CO)CC4)O[C@H](C)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIKey
KVWTUWYHUKDWNS-LHJNYBJOSA-N
분자식
C53H84O24
평균 분자량
1,105.2 g/mol

개요

Polygalasaponin Xxviii has been reported in Polygala tenuifolia, Polygala amarella, and other organisms with data available.

이름 및 식별자

우선 이름
Polygalasaponin Xxviii
IUPAC
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
현지명
폴리갈라사포닌XXVIII
영어명
polygalasaponin XXVIII
분자식
C53H84O24
분자량
1105.21966

이름 및 동의어

176182-01-73-O-beta-D-glucopyranosyl pesenegenin 28-O-beta-D-xylopyranosyl (1-->4)-alpha-L-rhamnopyranosyl (1-->2)-beta-D-fucopyranosyl esterRefChem:175145(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((2S,3R,4S,5R,6R)-3-((2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl)oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid3-O-beta-D-Glucopyranosyl presenegenin-28-O-beta-D-galactopyranosyl-(1-3)-beta-D-xylopyranosyl-(1-4)-alpha-L-rhamnopyranosyl-(1-2)-(beta-D-glucopyranosyl-(1-3))-beta-D-fucopyranosideorb2564057HY-N12578TN7769CS-0997015폴리갈라사포닌XXVIIIpolygalasaponin XXVIIIOlean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, 28-(O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl) ester, (2β,3β,4α)-

데이터베이스 식별자

CAS
176182-01-7
PubChem CID
197711
ChEMBL
CHEMBL453933
Nikkaji
J724.481I

물성

구조 계산 물성

XLogP
-1.7
극성 표면적
391 Ų
수소 결합 공여자 수
14
수소 결합 수용자 수
24
회전 가능 결합 수
12
무거운 원자 수
77

물리화학적 성질

밀도
1.51 · 1.51±0.1 g/cm3(Predicted)
산도 계수 (pKa)
4.14 · 4.14±0.70(Predicted)

화학 및 산업

공급사17 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]
湖北丹鼎医药科技有限公司17701422019 17701422019 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]

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