동로사이드A
Dongnoside A
기본 정보
- CAS
149664-94-8- 표준 SMILES
CC1CCC2(OC1)O[C@H]1CC3C4CCC5CC([C@]6(O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)O[C@@H](CO)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
GHMAUSNPKUGEEC-RMJYRNESSA-N- 분자식
- C62H102O31
- 평균 분자량
- 1,343.5 g/mol
- 단동위원소 질량
- 1,342.6405065
개요
Dongnoside A has been reported in Agave sisalana with data available.
이름 및 식별자
- 우선 이름
- Dongnoside A
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2S,3S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-[(4S,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]-4,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- 현지명
- 동로사이드A
- 영어명
- dongnoside A
- 분자식
- C62H102O31
- 분자량
- 1343.45
이름 및 동의어
Dongnoside A149664-94-8Tigogenin 3-O-alpha-L-rhamnopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-2)-(beta-D-xylopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosideRefChem:135624(2S,3R,4R,5R,6S)-2-((2S,3S,4S,5R,6R)-5-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-2-(hydroxymethyl)-6-((4S,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl)-4,6-bis(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-3-yl)oxy-6-methyloxane-3,4,5-triolbeta-D-Galactopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-동로사이드Aβ-D-Galactopyranoside, (3β,5α,25R)-spirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-
물성
구조 계산 물성
- XLogP
- -3.4
- 극성 표면적
- 484 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 31
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 93
- 형식 전하
- 0
- 복잡도
- 2,500
물리화학적 성질
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.68 · 12.68±0.70(Predicted)
관련 반응
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