Glycoside
GD024077
Name:
NoneFormula:
C17H27O4N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NC(CC)CC)nc32)[C@H](O)[C@H]1OAglycone:
CCC(CC)Nc1nc(N)c2c(n1)[N]C=N2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 393.45 | Num_heavy_atoms: | 28 |
| TPSA: | 160.44 | NumAromaticRings: | 2 |
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 |
AD16118
Formula: C10H15N6
Smiles:
CCC(CC)Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 219.27 | Num_heavy_atoms: | 16 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
