페노게닌3-글루코사이드
Floribundasaponin A
기본 정보
- CAS
37341-36-9- 표준 SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C- InChIKey
CGQPDIYJWNSEQF-BJNUSKFXSA-N- 분자식
- C33H52O9
- 평균 분자량
- 592.8 g/mol
개요
Floribundasaponin A is a spirostanyl glycoside that is pennogenin attached to a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the stem bark of Dracaena mannii, it exhibits anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent. It is a beta-D-glucoside, a 17alpha-hydroxy steroid, a spirostanyl glycoside and a monosaccharide derivative. It is functionally related to a pennogenin.
이름 및 식별자
- 우선 이름
- Floribundasaponin A
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
- 현지명
- 페노게닌3-글루코사이드
- 영어명
- Penogenin 3-glucoside
- 분자식
- C33H52O9
- 분자량
- 592.76
이름 및 동의어
floribundasaponin Apennogenin-3-O-beta-D-glucopyranosideCHEBI:65901(3beta,25R)-17-hydroxyspirost-5-en-3-yl beta-D-glucopyranoside(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-16-yl)oxyoxane-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triolRefChem:140733Pennogenin-3-O-b-D-glucopyranosidePennogenin-3-O-I2-D-glucopyranosidepennogenin 3-O-beta-D-glucopyranosideQ27134394페노게닌3-글루코사이드
이름 더 보기
Progenin IPenogenin 3-glucosidePennogenin 3-glucosidePenogenin-3-O-β-D-glucosidePennogenin 3-O-β-D-glucopyranoside[(25R)-17-Hydroxyspirost-5-en-3β-yl]β-D-glucopyranosideβ-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 끓는 점
- 740.1 · 740.1±60.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.91 · 12.91±0.70(Predicted)
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