Glycoside
GD036180
Name:
NoneFormula:
C26H31O4N7Smiles:
NC(=O)CCCCN(Cc1ccc2ccccc2c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(CCCCC(N)=O)Cc1ccc2ccccc2c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.58 | Num_heavy_atoms: | 37 |
| TPSA: | 165.64 | NumAromaticRings: | 4 |
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 |
AD22845
Formula: C17H22ON2
Smiles:
CN(CCCCC(N)=O)Cc1ccc2ccccc2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 270.38 | Num_heavy_atoms: | 20 |
| TPSA: | 46.33 | NumAromaticRings: | 2 |
