Glycoside
GD003537
Name:
NoneFormula:
C23H20O6N4Smiles:
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc12Aglycone:
O=c1[nH]c(=O)c2nc(-c3ccc(-c4ccccc4)cc3)cnc2[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.44 | Num_heavy_atoms: | 33 |
| TPSA: | 150.56 | NumAromaticRings: | 4 |
Unique Aglycone
AD03207
Formula: C18H12O2N4
Smiles:
O=c1[nH]c(=O)c2nc(-c3ccc(-c4ccccc4)cc3)cnc2[nH]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.32 | Num_heavy_atoms: | 24 |
| TPSA: | 91.5 | NumAromaticRings: | 4 |
