Glycoside
GD005003
Name:
NoneFormula:
C29H32O4N8Smiles:
O=C(NC1CC1)[C@@H]1OC(N2C=NC3C(NCCc4cn(Cc5ccccn5)c5ccccc45)=NC=NC32)[C@H](O)[C@H]1OAglycone:
C1=NC2NC=NC2C(NCCc2cn(Cc3ccccn3)c3ccccc23)=N1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.63 | Num_heavy_atoms: | 41 |
| TPSA: | 148.96 | NumAromaticRings: | 3 |
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 |
AD04290
Formula: C21H21N7
Smiles:
C1=NC2NC=NC2C(NCCc2cn(Cc3ccccn3)c3ccccc23)=N1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.45 | Num_heavy_atoms: | 28 |
| TPSA: | 78.96 | NumAromaticRings: | 3 |
