Glycoside
GD012062
Name:
NoneFormula:
C17H17O5N5Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)OCc2ccccc2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=COCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.35 | Num_heavy_atoms: | 27 |
| TPSA: | 145.61 | 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 |
AD00925
Formula: C8H8O2
Smiles:
O=COCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
