Glycoside
GD086069
Name:
NoneFormula:
C21H21O4N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCc2cccc3ccccc23)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.43 | Num_heavy_atoms: | 30 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD12945
Formula: C16H12N5
Smiles:
C1=Nc2c(ncnc2NCc2cccc3ccccc23)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.31 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
