기본 정보
- CAS
195062-63-6- 표준 SMILES
C=C(CC[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)C[C@]12O)C(C)CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC- InChIKey
MXKSWBGGFMZJOH-DRVGXLBBSA-N- 분자식
- C39H66O14
- 평균 분자량
- 758.9 g/mol
- 단동위원소 질량
- 758.44525677
개요
acodontasteroside G has been reported in Certonardoa semiregularis with data available.
이름 및 식별자
- 우선 이름
- acodontasteroside G
- IUPAC
- (3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(2R)-7-[(2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol
이름 및 동의어
acodontasteroside GCHEMBL507203DTXSID901105022195062-63-6(3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(1R)-6-[(2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol.beta.-D-Xylopyranoside, (3.beta.,4.beta.,5 .alpha.,6 .alpha.,15.beta.)-3,4,6,8,15-pentahydroxyergost-24(28)-en-26-yl 2-O-(2-O-methyl-.beta.-D-xylopyranosyl)-Ergost-24(28)-ene-3,4,6,8,15-pentol, 26-[[2-O-(2-O-methyl-I(2)-D-xylopyranosyl)-I(2)-D-xylopyranosyl]oxy]-, (3I(2),4I(2),5I+/-,6I+/-,15I(2))-
데이터베이스 식별자
- CAS
195062-63-6- PubChem CID
- 505372
- DTXSID
DTXSID901105022- ChEMBL
CHEMBL507203- Nikkaji
- J895.128D
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 228 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,270
관련 반응
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