Glycoside
GD082004
Name:
NoneFormula:
C19H25O7N3Smiles:
COc1ccc(Cn2cc(CC(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn2)cc1Aglycone:
COc1ccc(Cn2cc(CC(N)=O)cn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.42 | Num_heavy_atoms: | 29 |
| TPSA: | 146.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD36820
Formula: C13H15O2N3
Smiles:
COc1ccc(Cn2cc(CC(N)=O)cn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 245.28 | Num_heavy_atoms: | 18 |
| TPSA: | 70.14 | NumAromaticRings: | 2 |
