기본 정보
- CAS
514-42-1- 표준 SMILES
COC1C(O)[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)OC(C)[C@@H]1O- InChIKey
MABTYQWWFMMYTE-WQRGQTCUSA-N- 분자식
- C30H46O9
- 평균 분자량
- 550.7 g/mol
- 단동위원소 질량
- 550.31418304
이름 및 식별자
- 우선 이름
- 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- IUPAC
- 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
이름 및 동의어
3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-onePeriplogenin-D-digitalosidPeriplogenin-D-digitalosid [German]BRN 01011384-18-00-02440 (Beilstein Handbook Reference)DTXSID109657125-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-D-galactopyranosyl)oxy)-5,14-dihydroxy-3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide(8xi,9xi)-3beta-[(6-Deoxy-3-O-methyl-alpha-L-glycero-hexopyranosyl)oxy]-5,14-dihydroxy-5beta-card-20(22)-enolide
데이터베이스 식별자
- CAS
514-42-1- PubChem CID
- 10575
- DTXSID
DTXSID10965712
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,020
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