Glycoside
GD059463
Name:
NoneFormula:
C15H22O5N2ClSmiles:
CC(C)([NH2+][C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccnc(Cl)c1Aglycone:
CC(C)([NH3+])c1ccnc(Cl)c1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 333.79 | Num_heavy_atoms: | 22 |
| TPSA: | 119.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD29442
Formula: C9H12N2Cl
Smiles:
CC(C)([NH3+])c1ccnc(Cl)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.65 | Num_heavy_atoms: | 11 |
| TPSA: | 40.53 | NumAromaticRings: | 1 |
