Majoroside F1
기본 정보
- CAS
93376-73-9- 표준 SMILES
C=C(C)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C- InChIKey
FAJNTKKJVSRNEJ-UHFFFAOYSA-N- 분자식
- C48H82O19
- 평균 분자량
- 963.2 g/mol
개요
Majoroside F1 is a triterpenoid.
이름 및 식별자
- 우선 이름
- Majoroside F1
- IUPAC
- 2-[4,5-dihydroxy-2-[[12-hydroxy-17-[5-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- 20-(β-D-Glucopyranosyloxy)-12β,24-dihydroxy-5α-dammara-25-ene-3β-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
- 분자식
- C48H82O19
- 분자량
- 963.16
이름 및 동의어
Majoroside F1MAJOROSIDE-F1114128-16-42-[4,5-dihydroxy-2-[[12-hydroxy-17-[5-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolCHEBI:172863DTXSID201106750(3I(2),12I(2),24R)-20-(I(2)-D-Glucopyranosyloxy)-12,24-dihydroxydammar-25-en-3-yl 2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosideGinsenoside M6-bc20-(β-D-Glucopyranosyloxy)-12β,24-dihydroxy-5α-dammar-25-en-3β-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside20-(β-D-Glucopyranosyloxy)-12β,24-dihydroxy-5α-dammara-25-ene-3β-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
데이터베이스 식별자
- CAS
93376-73-9- ChEBI
CHEBI:172863
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 318 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 67
- 형식 전하
- 0
- 복잡도
- 1,710
물리화학적 성질
- 끓는 점
- 1052.5 · 1052.5±65.0 °C(predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.85 · 12.85±0.70(predicted)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
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