Glycoside
GD037202
Name:
NoneFormula:
C26H36O6N8Smiles:
CCOC(=O)[C@H](N)CCN(CCCc1cccc(C(N)=O)c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCOC(=O)C(N)CCN(C)CCCc1cccc(C(N)=O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 556.62 | Num_heavy_atoms: | 40 |
| TPSA: | 217.96 | 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 |
AD23448
Formula: C17H27O3N3
Smiles:
CCOC(=O)C(N)CCN(C)CCCc1cccc(C(N)=O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 321.42 | Num_heavy_atoms: | 23 |
| TPSA: | 98.65 | NumAromaticRings: | 1 |
