Pingpeimine C
PubChem CID: 5320600
Connections displayed (default: 10).
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| Compound Synonyms | Pingpeimine C, 10,12,14,16,20-Pentahydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 868.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,12,14,16,20-pentahydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.9 |
| Molecular Formula | C27H43NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNDFCKYSZIORHG-UHFFFAOYSA-N |
| Fcsp3 | 0.9629629629629628 |
| Logs | -2.589 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.25 |
| Compound Name | Pingpeimine C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 477.309 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 477.309 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 477.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3683804000000017 |
| Inchi | InChI=1S/C27H43NO6/c1-13-4-5-20-26(3,33)21-15(12-28(20)11-13)16-9-17-22(27(16,34)10-19(21)30)24(32)23(31)18-8-14(29)6-7-25(17,18)2/h13-22,24,29-30,32-34H,4-12H2,1-3H3 |
| Smiles | CC1CCC2C(C3C(CC4(C(C3CN2C1)CC5C4C(C(=O)C6C5(CCC(C6)O)C)O)O)O)(C)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fritillaria Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients