beta-D-Glucopyranoside, ((1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl
기본 정보
- CAS
64703-86-2- 표준 SMILES
CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@](O)(CO)[C@@H]12- InChIKey
HOCKGUMMVOPFFC-RHMPUOGUSA-N- 분자식
- C21H34O12
- 평균 분자량
- 478.5 g/mol
- 단동위원소 질량
- 478.20502652
개요
Kanokoside B is a terpene glycoside.
이름 및 식별자
- 우선 이름
- beta-D-Glucopyranoside, ((1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl
- IUPAC
- [(1S,4aS,6S,7R,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
이름 및 동의어
DTXSID50110018764703-86-2RefChem:937495DTXCID701531904beta-D-Glucopyranoside, ((1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methylKanokoside BSuspensolide FCHEMBL4176732CHEBI:81082C17429Q27155040I(2)-D-Glucopyranoside, [(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl
데이터베이스 식별자
- CAS
64703-86-2- PubChem CID
- 46173906
- DTXSID
DTXSID501100187- ChEMBL
CHEMBL4176732- ChEBI
CHEBI:81082- Nikkaji
- J640.688B
물성
구조 계산 물성
- XLogP
- -2.2
- 극성 표면적
- 196 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 713
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