Glycoside
GD015720
Name:
NoneFormula:
C21H25O7N3Smiles:
COc1ccc(CCn2nnc3cccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c32)cc1Aglycone:
COc1ccc(CCn2nnc3cccc(O)c32)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.45 | Num_heavy_atoms: | 31 |
| TPSA: | 139.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD11389
Formula: C15H15O2N3
Smiles:
COc1ccc(CCn2nnc3cccc(O)c32)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.3 | Num_heavy_atoms: | 20 |
| TPSA: | 60.17 | NumAromaticRings: | 3 |
