6-Oxocevan-2-yl hexopyranoside
PubChem CID: 127203
Connections displayed (default: 10).
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| Compound Synonyms | 6-oxocevan-2-yl hexopyranoside, 98985-24-1, 6,10,23-trimethyl-21-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one, Cevan-6-one, 3-(beta-D-glucopyranosyloxy)-, (3beta,5alpha,17beta), DTXSID60912958, DA-59219, G89235 |
|---|---|
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 995.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10,23-trimethyl-21-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.7 |
| Molecular Formula | C33H53NO7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KZQBVJMJOSOUQU-UHFFFAOYSA-N |
| Fcsp3 | 0.9696969696969696 |
| Logs | -4.299 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.093 |
| Compound Name | 6-Oxocevan-2-yl hexopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 575.382 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 575.382 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 575.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 17.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.5239794 |
| Inchi | InChI=1S/C33H53NO7/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/h16-26,28-32,35,37-39H,4-15H2,1-3H3 |
| Smiles | CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CC(CC6)OC7C(C(C(C(O7)CO)O)O)O)C)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