Glycoside
GD029112
Name:
NoneFormula:
C22H25O6N3Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc(-c3cccc4ccccc34)nc(N)n2)[C@H]1OAglycone:
Nc1nc(CO)cc(-c2cccc3ccccc23)n1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.46 | Num_heavy_atoms: | 31 |
| TPSA: | 140.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD18975
Formula: C15H13ON3
Smiles:
Nc1nc(CO)cc(-c2cccc3ccccc23)n1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.29 | Num_heavy_atoms: | 19 |
| TPSA: | 72.03 | NumAromaticRings: | 3 |
