Glycoside
GD079294
Name:
NoneFormula:
C16H20O5N8Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](C(=O)NCCCn3cccn3)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=CNCCCn1cccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.39 | Num_heavy_atoms: | 29 |
| TPSA: | 186.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD36301
Formula: C7H11ON3
Smiles:
O=CNCCCn1cccn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 153.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.92 | NumAromaticRings: | 1 |
