기본 정보
- CAS
30688-36-9- 표준 SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
QDUNASUIHMLOJM-VYEWMGKISA-N- 분자식
- C48H78O17
- 평균 분자량
- 927.1 g/mol
- 단동위원소 질량
- 926.52390104
개요
Cussonoside B has been reported in Pulsatilla dahurica, Anemone taipaiensis, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Cussonoside B
- IUPAC
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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
- 현지명
- 쿠소노사이드B
- 영어명
- cussonoside B
- 분자식
- C48H78O17
- 분자량
- 927.12
이름 및 동의어
Cussonoside B30688-36-9DTXSID201317602Oleanolic acid-28-O-(rhamnopyranosyl(1-4)glucopyranosyl(1-6))glucopyranosyl esterOlean-12-en-28-oic acid, 3-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta)-RefChem:919297DTXCID101747408Cirensenoside OCHEMBL1171448[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylateSCHEMBL31237330BDBM50322753
이름 더 보기
쿠소노사이드BOlean-12-en-28-oic acid, 3-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β)-
Oleanolic acid 28-O-(rhamnopyranosyl(1-4)glucopyranosyl(1-6))glucopyranosyl ester3beta-hydroxyolean-12-en-28-oic acid O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-(3beta-hydroxy-28-oxoolean-12-en-28-yl)-beta-D-glucopyranose
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 275 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,780
화학 및 산업
공급사1 곳
CHEMICAL LAND21[email protected]
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