Glycoside
GD092061
Name:
NoneFormula:
C20H24O4N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)C[NH2+]C5)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccc3c(c2)C[NH2+]C3)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.46 | Num_heavy_atoms: | 31 |
| TPSA: | 151.03 | 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 |
AD40188
Formula: C13H12N6
Smiles:
C1=Nc2c(ncnc2Nc2ccc3c(c2)C[NH2+]C3)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.28 | Num_heavy_atoms: | 19 |
| TPSA: | 80.88 | NumAromaticRings: | 2 |
