Glycoside
GD011843
Name:
NoneFormula:
C21H29O4N7Smiles:
CN(CCCCON)C[C@@H]1O[C@H](n2c(-c3ccccc3)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CCCCON.Nc1ncnc2c1N=C(c1ccccc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 443.51 | Num_heavy_atoms: | 32 |
| TPSA: | 157.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD03708
Formula: C6H16ON2
Smiles:
CN(C)CCCCON| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 132.21 | Num_heavy_atoms: | 9 |
| TPSA: | 38.49 | NumAromaticRings: | 0 |
AD05547
Formula: C11H8N5
Smiles:
Nc1ncnc2c1N=C(c1ccccc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
