Glycoside
GD021546
Name:
NoneFormula:
C22H20O6N2Smiles:
Cc1c(-c2nc3ccccc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)oc2ccccc12Aglycone:
Cc1c(C2=Nc3ccccc3[N]2)c(=O)oc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.41 | Num_heavy_atoms: | 30 |
| TPSA: | 117.95 | NumAromaticRings: | 4 |
Unique Aglycone
AD14723
Formula: C17H11O2N2
Smiles:
Cc1c(C2=Nc3ccccc3[N]2)c(=O)oc2ccccc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 275.29 | Num_heavy_atoms: | 21 |
| TPSA: | 56.67 | NumAromaticRings: | 3 |
