(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
기본 정보
- 표준 SMILES
C=C[C@@](C)(O)CC[C@@]1(C)[C@H](C)C[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@]2(C)C(C)=CCC[C@H]12- InChIKey
ATKULCOXZIMOHG-JDQLJWBPSA-N- 분자식
- C32H54O11
- 평균 분자량
- 614.8 g/mol
- 단동위원소 질량
- 614.36661255
개요
[(5R,8R,9S,10R,13S)-13-Hydroxycleroda-3,14-diene-6alpha-yl]4-O-(beta-D-glucopyranosyl)-alpha-L-rhamnopyranoside has been reported in Pteris linearis and Dicranopteris linearis with data available.
이름 및 식별자
- 우선 이름
- (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
데이터베이스 식별자
- Nikkaji
- J2.598.980E
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 179 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,010
관련 반응
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