Glycoside
GD030340
Name:
NoneFormula:
C22H27O4N7Smiles:
CN(Cc1ccc2c(c1)CCCN2C)C(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C=O)Cc1ccc2c(c1)CCCN2C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 453.5 | Num_heavy_atoms: | 33 |
| TPSA: | 142.86 | NumAromaticRings: | 3 |
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 |
AD15738
Formula: C13H18ON2
Smiles:
CN(C=O)Cc1ccc2c(c1)CCCN2C| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.3 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
