Glycoside
GD101298
Name:
NoneFormula:
C22H27O4N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(N5CCCC5)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccc(N3CCCC3)cc2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 453.5 | Num_heavy_atoms: | 33 |
| TPSA: | 137.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD42446
Formula: C15H15N6
Smiles:
C1=Nc2c(ncnc2Nc2ccc(N3CCCC3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 279.33 | Num_heavy_atoms: | 21 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
