Glycoside
GD086438
Name:
NoneFormula:
C19H22O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCNC(=O)c2ccccn2)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCCCNC(=O)c1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.44 | Num_heavy_atoms: | 32 |
| TPSA: | 190.4 | 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 |
AD38296
Formula: C10H13O2N3
Smiles:
O=CNCCCNC(=O)c1ccccn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 71.09 | NumAromaticRings: | 1 |
