6-Hydroxycevan-2-yl hexopyranoside
PubChem CID: 127202
Connections displayed (default: 10).
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| Compound Synonyms | 98985-22-9, 5,14-Cevanine-6-hydroxyl-3-D-glucoside, 6-hydroxycevan-2-yl hexopyranoside, Hupeheninoside, DTXSID20912959, 2-(hydroxymethyl)-6-[(17-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-21-yl)oxy]oxane-3,4,5-triol, beta-D-Glucopyranoside, (3alpha,5alpha,6alpha)-6-hydroxycevan-3-yl, beta-D-Glucopyranoside, (3beta,5alpha,6beta,17beta)-6-hydroxycevan-3-yl |
|---|---|
| Topological Polar Surface Area | 123.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 953.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[(17-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-21-yl)oxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | 4.0 |
| Molecular Formula | C33H55NO7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPEOJRRZBDHCLW-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.203 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.648 |
| Compound Name | 6-Hydroxycevan-2-yl hexopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 577.398 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 577.398 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 577.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 18.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.7128786 |
| Inchi | InChI=1S/C33H55NO7/c1-16-4-9-26-17(2)19-6-7-20-21(23(19)14-34(26)13-16)10-25-22(20)11-27(36)24-8-5-18(12-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-32,35-39H,4-15H2,1-3H3 |
| Smiles | CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(C6C5(CC(CC6)OC7C(C(C(C(O7)CO)O)O)O)C)O)C |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fritillaria Cirrhosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Fritillaria Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fritillaria Hupehensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Fritillaria Pallidiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Fritillaria Prezewalskii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Fritillaria Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Fritillaria Taipaiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Fritillaria Unibracteata (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Fritillaria Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Fritillaria Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Fritillaria Walujewii (Plant) Rel Props:Source_db:cmaup_ingredients