Glycoside
GD003684
Name:
NoneFormula:
C19H29O4N7Smiles:
CCCC(=O)NCC=CCN(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCC(=O)NCC=CCN(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 419.49 | Num_heavy_atoms: | 30 |
| TPSA: | 151.65 | 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 |
AD00271
Formula: C10H20ON2
Smiles:
CCCC(=O)NCC=CCN(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 184.28 | Num_heavy_atoms: | 13 |
| TPSA: | 32.34 | NumAromaticRings: | 0 |
