GlcN(a1-7)a-LDManHep1Me
PubChem CID: 163186603
Connections displayed (default: 10).
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| Topological Polar Surface Area | 205.0 |
|---|---|
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 443.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.5 |
| Molecular Formula | C14H27NO11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HJAFVSGVEKWYCB-XGNBWRRZSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.257 |
| Rotatable Bond Count | 6.0 |
| Logd | -2.233 |
| Compound Name | GlcN(a1-7)a-LDManHep1Me |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 385.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 385.158 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 385.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0143307999999998 |
| Inchi | InChI=1S/C14H27NO11/c1-23-14-11(22)9(20)10(21)12(26-14)4(17)3-24-13-6(15)8(19)7(18)5(2-16)25-13/h4-14,16-22H,2-3,15H2,1H3/t4-,5+,6+,7+,8+,9-,10-,11-,12+,13-,14-/m0/s1 |
| Smiles | CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Wallichii (Plant) Rel Props:Source_db:cmaup_ingredients