Glycoside
GD025510
Name:
NoneFormula:
C26H27O4N7Smiles:
C#CCn1cc(CCNc2ncnc3c2ncn3C2O[C@H](C(=O)NC3CC3)[C@H](O)[C@H]2O)c2ccccc21Aglycone:
C#CCn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 501.55 | Num_heavy_atoms: | 37 |
| 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 |
AD16909
Formula: C18H15N6
Smiles:
C#CCn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.36 | Num_heavy_atoms: | 24 |
| TPSA: | 69.2 | NumAromaticRings: | 3 |
