Glycoside
GD032415
Name:
NoneFormula:
C26H32O6N8Smiles:
CCOC(=O)[C@H](N)CCN(CC#Cc1cccc(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)CC#Cc1cccc(C(N)=O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 552.59 | 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 |
AD20793
Formula: C17H23O3N3
Smiles:
CCOC(=O)C(N)CCN(C)CC#Cc1cccc(C(N)=O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 317.39 | Num_heavy_atoms: | 23 |
| TPSA: | 98.65 | NumAromaticRings: | 1 |
