CALYCOSIN 7-O-beta-D-GLUCOSIDE
PubChem CID: 5318267
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| Compound Synonyms | 20633-67-4, Calycosin-7-O-beta-D-glucoside, Calycosin 7-O-glucoside, calycosin-7-O-beta-D-glucopyranoside, Calycosin-7-O-, A-D-glucoside, Calycosin 7-o-beta-D-glucoside, Calycosin 7-O-glucopyranoside, UNII-247AW3A88C, 247AW3A88C, CALYCOSIN 7-O-BETA-D-GLUCOPYRANOSIDE, Calycosin 7-beta-D-glucopyranoside, 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(3-hydroxy-4-methoxyphenyl)-, CHEMBL3289608, CHEBI:86512, 3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 7,3'-Dihydroxy-4'-methoxyisoflavone-7-o-beta-D-glucoside, 3',7-Dihydroxy-4'-methoxyisoflavone-7-beta-D-glucopyranoside, Calycosin 7-O-glucopyranoside (constituent of astragalus) [DSC], Isoflavone, 3',7-dihydroxy-4'-methoxy-, 7-beta-D-glucopyranoside, Calycosin 7-O-b-D-glucoside, CALYCOSIN 7-O-BETA-D-GLUCOPYRANOSIDE (USP-RS), CALYCOSIN 7-O-BETA-D-GLUCOPYRANOSIDE [USP-RS], MFCD08061493, Calycosin 7-O-?-D-glucoside, Calycosin-7-O-?-D-glucoside, 3'-Hydroxy-4'-methoxyisoflavone-7-O-beta-D-glucoside, HY-N0520R, GLXC-13147, HMS3886F16, HY-N0520, CALYCOSIN-7-O-B-D-GLUCOSIDE, BDBM50021397, s9088, AKOS015897094, CCG-269192, CS-3716, MC44349, AC-34486, CALYCOSIN 7-O-.BETA.-D-GLUCOSIDE, DA-62015, MS-28052, Calycosin-7-O-, A-D-glucoside (Standard), 1ST157071, CALYCOSIN 7-.BETA.-D-GLUCOPYRANOSIDE, CALYCOSIN-7-O-.BETA.-D-GLUCOPYRANOSIDE, Q27159206, Calycosin 7-O-glucopyranoside (constituent of astragalus), 7,3'-DIHYDROXY-4'-METHOXYISOFLAVONE-7-O-.BETA.-D-GLUCOSIDE, 3',7-DIHYDROXY-4'-METHOXYISOFLAVONE-7-.BETA.-D-GLUCOPYRANOSIDE, ISOFLAVONE, 3',7-DIHYDROXY-4'-METHOXY-, 7-.BETA.-D-GLUCOPYRANOSIDE, 3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside, 3-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 3-(3-hydroxy-4-methoxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one, 4H-1-BENZOPYRAN-4-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-(3-HYDROXY-4-METHOXYPHENYL)-, Calycosin-7-O-AfAE'A centa' notA inverted exclamation markAfasA'A, AfAE'Adaggeratrade markAfA centA centasA notA em leaderA inverted exclamation mark-D-glucoside |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 698.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P60568, P01375, P0DTD1, n.a. |
| Iupac Name | 3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C22H22O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WACBUPFEGWUGPB-MIUGBVLSSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.136 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.374 |
| Compound Name | CALYCOSIN 7-O-beta-D-GLUCOSIDE |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 446.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 446.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5532296000000003 |
| Inchi | InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
| Smiles | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Astragalus Mongholicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Balanophora Involucrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all