(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,2R,4S,6R,7S,8S,9S,12R,13R,16R)-6-[(2R,3S)-2,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-6-hydroxy-7,9,13-trimethyl-16-pentacyclo[10.8.0.02,9.04,8.013,18]icos-18-enyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
기본 정보
- 표준 SMILES
C[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)C[C@@]1(O)C[C@@H]2C[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[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@@H]1C- InChIKey
ZDVAUIAXISUJMA-JEOSRPPHSA-N- 분자식
- C47H78O17
- 평균 분자량
- 915.1 g/mol
- 단동위원소 질량
- 914.52390104
이름 및 식별자
- 우선 이름
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,2R,4S,6R,7S,8S,9S,12R,13R,16R)-6-[(2R,3S)-2,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-6-hydroxy-7,9,13-trimethyl-16-pentacyclo[10.8.0.02,9.04,8.013,18]icos-18-enyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,2R,4S,6R,7S,8S,9S,12R,13R,16R)-6-[(2R,3S)-2,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-6-hydroxy-7,9,13-trimethyl-16-pentacyclo[10.8.0.02,9.04,8.013,18]icos-18-enyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 278 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,640
관련 반응
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