Glycoside
GD004769
Name:
NoneFormula:
C27H31O4N7Smiles:
O=C(NC1CC1)[C@@H]1OC(n2cnc3c(NCCc4cn(CC5CC5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2cn(CC3CC3)c3ccccc23)[N]1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 517.59 | Num_heavy_atoms: | 38 |
| TPSA: | 139.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD04123
Formula: C19H19N6
Smiles:
C1=Nc2c(ncnc2NCCc2cn(CC3CC3)c3ccccc23)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 331.4 | Num_heavy_atoms: | 25 |
| TPSA: | 69.2 | NumAromaticRings: | 3 |
