기본 정보
- CAS
74350-30-4- 표준 SMILES
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(COC7OC(C)C(O)C(O)C7OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
QBFOXISCLSPTBT-UHFFFAOYSA-N- 분자식
- C51H82O22
- 평균 분자량
- 1,047.2 g/mol
- 단동위원소 질량
- 1,046.52977424
개요
Graecunin E is a steroid saponin.
이름 및 식별자
- 우선 이름
- Graecunin E
- IUPAC
- 2-[6-[4,5-dihydroxy-6-methyl-2-[[3,4,5-trihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
이름 및 동의어
Graecunin E74350-30-42-[6-[4,5-dihydroxy-6-methyl-2-[[3,4,5-trihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolalpha-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-2)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-2-(6-(4,5-dihydroxy-6-methyl-2-((3,4,5-trihydroxy-6-(5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-16-yl)oxyoxan-2-yl)methoxy)oxan-3-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:144266SCHEMBL30637392DTXSID80995884CHEBI:230719Spirost-5-en-3-yl hexopyranosyl-(1->4)hexopyranosyl-(1->2)-6-deoxyhexopyranosyl-(1->6)hexopyranoside
데이터베이스 식별자
- CAS
74350-30-4- PubChem CID
- 156783
- DTXSID
DTXSID80995884- ChEBI
CHEBI:230719
물성
구조 계산 물성
- XLogP
- -1.3
- 극성 표면적
- 335 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 1,940
실험 및 물리화학적 성질
Melting Point136 - 138 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…