기본 정보
- 표준 SMILES
CO[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H]([C@@H](C)O)NC[C@@H]2O)O[C@H](CO)[C@H]1O[C@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
JGEFYCVFLNZUPI-WIJLQIQXSA-N- 분자식
- C28H45NO20
- 평균 분자량
- 715.7 g/mol
- 단동위원소 질량
- 715.25349284
개요
(2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is an oligosaccharide.
이름 및 식별자
- 우선 이름
- (2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- IUPAC
- (2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
이름 및 동의어
CHEBI:206275(2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
데이터베이스 식별자
- ChEBI
CHEBI:206275- Nikkaji
- J2.306.115E
물성
구조 계산 물성
- XLogP
- -7.5
- 극성 표면적
- 308 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,130
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