periglaucine D
PubChem CID: 24879471
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| Compound Synonyms | periglaucine D, CHEBI:66734, Q27135356, (1S,11S,13S,14R,15S,19R)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-one |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 820.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,11S,13S,14R,15S,19R)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C23H27NO7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SOMHCTSZFQAYCX-LUYVKGCYSA-N |
| Fcsp3 | 0.6521739130434783 |
| Logs | -3.568 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.335 |
| Compound Name | periglaucine D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 429.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 429.179 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 429.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.652833606451614 |
| Inchi | InChI=1S/C23H27NO7/c1-12(25)5-13-8-21-9-16(26)20(27-3)23(28-4)22(21,24(13)2)10-19(31-23)14-6-17-18(7-15(14)21)30-11-29-17/h6-7,13,19-20H,5,8-11H2,1-4H3/t13-,19-,20-,21-,22-,23-/m0/s1 |
| Smiles | CC(=O)C[C@H]1C[C@@]23CC(=O)[C@@H]([C@]4([C@]2(N1C)C[C@H](O4)C5=CC6=C(C=C35)OCO6)OC)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pericampylus Glaucus (Plant) Rel Props:Source_db:cmaup_ingredients