Araloside V
기본 정보
- CAS
340963-86-2- 표준 SMILES
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[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(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
MROYUZKXUGPCPD-WEHHMEJFSA-N- 분자식
- C54H88O23
- 평균 분자량
- 1,105.3 g/mol
- 단동위원소 질량
- 1,104.57163905
개요
Congmunoside V has been reported in Aralia decaisneana with data available.
이름 및 식별자
- 우선 이름
- Araloside V
- IUPAC
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- 영어명
- Araloside V
- 분자식
- C54H88O23
- 분자량
- 1105.26
이름 및 동의어
Araloside VCongmunoside V340963-86-2CongmunosideVCongmuyanoside VMFCD22124708Aralia-saponin Vorb1698438CHEMBL2272141SCHEMBL38660175[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylateHY-N6970
이름 더 보기
3-O-[β-D-glucopyranosyl(1→2)]-[ β-D-glucopyranosyl(1→3)-β-D-glucopyranosyl(1→3)] β-D-glucopyranosyl hederageninOlean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-
AKOS027250685FC73782FS-6971T2S0287CS-0027685
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 374 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 77
- 형식 전하
- 0
- 복잡도
- 2,110
물리화학적 성질
- 밀도
- 1.47 · 1.47±0.1 g/cm3 (20 ºC 760 Torr)
- 산도 계수 (pKa)
- 12.52 · 12.52±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
관련 반응
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