Cas no 146713-92-0 (Physagulin-d)
Physagulin-d structure
Product Name:Physagulin-d
CAS No:146713-92-0
MF:C34H52O10
MW:620.770691871643
CID:159957
PubChem ID:10100412
Update Time:2024-03-01
Physagulin-d Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-5,24-dien-26-oicacid, 3-(b-D-glucopyranosyloxy)-1,22,27-trihydroxy-,d-lactone, (1a,3b,22R)-
- PhysagulinD
- Physagulin-d
- 9R2FX9KR0Y
- Physagulin D
- Physagulin-d (constituent of ashwagandha root) [DSC]
- Q27272924
- UNII-9R2FX9KR0Y
- CHEBI:176250
- DTXSID101317809
- (2R)-2-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
- 146713-92-0
-
- Inchi： 1S/C34H52O10/c1-16-11-25(43-31(41)21(16)14-35)17(2)22-7-8-23-20-6-5-18-12-19(42-32-30(40)29(39)28(38)26(15-36)44-32)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-30,32,35-40H,6-15H2,1-4H3/t17-,19+,20-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1
- InChI Key： KRHHFPJGGBLAAH-MYBCZMNMSA-N
- SMILES： O[C@H]1C[C@@H](CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]43)[C@]21C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Exact Mass: 620.35604785g/mol
- Monoisotopic Mass: 620.35604785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 44
- Rotatable Bond Count: 6
- Complexity: 1170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 15
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 166
- XLogP3: 3.1
Physagulin-d Related Literature
-
Li-Xia Chen,Hao He,Feng Qiu Nat. Prod. Rep. 2011 28 705
-
Ahmed M. Sayed,Seham S. El-Hawary,Usama Ramadan Abdelmohsen,Mosad A. Ghareeb Food Funct. 2022 13 11733
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