Glycoside
GD030019
Name:
NoneFormula:
C21H22O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCN(c3nc4ccccc4o3)CC2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN1CCN(c2nc3ccccc3o2)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 466.46 | Num_heavy_atoms: | 34 |
| TPSA: | 168.89 | 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 |
AD19459
Formula: C12H13O2N3
Smiles:
O=CN1CCN(c2nc3ccccc3o2)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 231.25 | Num_heavy_atoms: | 17 |
| TPSA: | 49.58 | NumAromaticRings: | 2 |
