5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
PubChem CID: 320761
Connections displayed (default: 10).
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| Compound Synonyms | beta-CYCLODEXTRIN, beta -cyclodextrin, CYCLO-HEPTA-AMYLOSE, Cycloheptamaltose, .beta.-Dextrin, beta -cycloamylose, .beta.-Cycloamylose, b-Schardinger dextran, beta -cycloheptaamylose, Dextrin, .beta.-cyclo, Betadex, INN, USAN, .beta.-Cycloheptaamylose, beta Cyclodextrin, USAN, Schardinger .beta.-dextrin, SCHEMBL127367, NSC269471, AKOS032949827, LS-15444, Cycloheptakis-(1->4)-(a-D-glucopyranose), DB-055994, NS00008415, D89294, EN300-719073, BRD-A08079565-001-01-8, 5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol |
|---|---|
| Topological Polar Surface Area | 554.0 |
| Hydrogen Bond Donor Count | 21.0 |
| Heavy Atom Count | 77.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1480.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol |
| Prediction Hob | 0.0 |
| Xlogp | -15.0 |
| Molecular Formula | C42H70O35 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHGYBXFWUBPSRW-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 1.76 |
| Rotatable Bond Count | 7.0 |
| Logd | -3.71 |
| Compound Name | 5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 1134.37 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1134.37 |
| Hydrogen Bond Acceptor Count | 35.0 |
| Molecular Weight | 1135.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 35.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 3.047680599999993 |
| Inchi | InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2 |
| Smiles | C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O |
| Nring | 21.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients