Glycoside
GD022260
Name:
NoneFormula:
C19H30O4N6Smiles:
CCC(CC)Nc1ncnc2c1ncn2C1O[C@H](C(=O)N(CC)CC)[C@H](O)[C@H]1OAglycone:
CCC(CC)Nc1ncnc2c1N=C[N]2.CCN(C=O)CCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.49 | Num_heavy_atoms: | 29 |
| TPSA: | 125.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD02935
Formula: C10H14N5
Smiles:
CCC(CC)Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.26 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD14023
Formula: C5H11ON
Smiles:
CCN(C=O)CC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
