Glycoside
GD003913
Name:
NoneFormula:
C23H21O5N5Smiles:
Nc1nc(=O)n(C2OC(CO)C(O)C2O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc12Aglycone:
Nc1nc(=O)[nH]c2ncc(-c3ccc(-c4ccccc4)cc3)nc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.45 | Num_heavy_atoms: | 33 |
| TPSA: | 156.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD03483
Formula: C18H13ON5
Smiles:
Nc1nc(=O)[nH]c2ncc(-c3ccc(-c4ccccc4)cc3)nc12| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.34 | Num_heavy_atoms: | 24 |
| TPSA: | 97.55 | NumAromaticRings: | 4 |
