Saponins

HCID 6540709CAS 11072-93-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@]2(CO)C(CC1(C)C)C1=CCC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O
InChIKey: AXNVHPCVMSNXNP-ZELRDNAQSA-N
분자식: C55H86O24
평균 분자량: 1,131.3 g/mol

개요

Saponins has been reported in Aesculus hippocastanum and Bobgunnia madagascariensis with data available.

이름 및 식별자

우선 이름: Saponins
IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
영어명: sasanquasaponin
분자량: 0

이름 및 동의어

Saponins(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acidSaponine(2S,3S,4S,5R,6R)-6-(((3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-((Z)-2-methylbut-2-enoyl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-4-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxane-2-carboxylic acidRefChem:931265DTXSID00109108232-462-68047-15-2Flogencylbeta-Aescinubeta-Aescusanbeta-Reparil

이름 더 보기

beta Escinbeta-Aescinu [Czech]beta-Aescinbeta-EscinNSC 75865311072-93-8orb1223045SCHEMBL29434526

데이터베이스 식별자

CAS: 11072-93-8、26339-90-2、8047-15-2
PubChem CID: 6540709
ChEMBL: CHEMBL504794
EC Number: 232-462-6、600-985-2

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 388 Å²
수소 결합 공여자 수: 13
수소 결합 수용자 수: 24
회전 가능 결합 수: 16
무거운 원자 수: 79
형식 전하: 0
복잡도: 2,300

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Plant Toxins

CosmeticsSurfactant; Cleansing

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 3% (7 of 235) of reports.

Warning

H319 (96.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 235 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

유해성 정보

Regulatory Information · 3건

Chemical: Saponins

REACH registered substance: Saponins (EC: 232-462-6)

Saponin: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryEssentially non-toxic by ingestion but powerful hemolytics by intravenous injection; [Merck Index] A strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and Categories · 2건

Eye Irrit. 2 (96.6%)

Acute Tox. 4 (100%)

독성 정보

Toxicity DataLCLo (rat) = 250 mg/m3/4hr

화학 및 산업

용도 및 제조

UsesGlycoside found in plants; Poisonous to lower life forms and used by the aborigines of South America for killing fish; [Merck Index]

Use ClassificationCosmetics -> Surfactant; Cleansing

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉零加一化工有限公司15972036926 15972036926 · [email protected]

上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

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