Glycoside
GD021905
Name:
NoneFormula:
C35H32O4N6Smiles:
O=C(NC[C@@H]1OC(n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@H]1O)C(c1ccccc1)c1ccccc1Aglycone:
C1=Nc2c(ncnc2NCc2cccc3ccccc23)[N]1.CNC(=O)C(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 600.68 | Num_heavy_atoms: | 45 |
| TPSA: | 134.42 | NumAromaticRings: | 6 |
Unique Aglycone
AD07180
Formula: C15H15ON
Smiles:
CNC(=O)C(c1ccccc1)c1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 225.29 | Num_heavy_atoms: | 17 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
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 |
