Glycoside
GD030137
Name:
NoneFormula:
C19H30O3N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](N)CCC2CCCCC2)[C@H](O)[C@H]1OAglycone:
CC(N)CCC1CCCCC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.49 | Num_heavy_atoms: | 28 |
| TPSA: | 145.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19520
Formula: C10H21N
Smiles:
CC(N)CCC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 155.28 | Num_heavy_atoms: | 11 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
