Glycoside
GD008533
Name:
NoneFormula:
C18H18O6N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCc2ccc3c(c2)OCO3)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCc1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.38 | Num_heavy_atoms: | 30 |
| TPSA: | 166.87 | 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 |
AD06808
Formula: C9H9O3N
Smiles:
O=CNCc1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
