기본 정보
- 표준 SMILES
CC(CCCC(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C- InChIKey
ICNZKSPVMAZBDY-UHFFFAOYSA-N- 분자식
- C42H74O12
- 평균 분자량
- 771 g/mol
- 단동위원소 질량
- 770.51802781
개요
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[[17-(6-hydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Zingiber officinale with data available.
이름 및 식별자
- 우선 이름
- 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[[17-(6-hydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[[17-(6-hydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,280
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…