Glycoside
GD036483
Name:
NoneFormula:
C15H16O6N6Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3cc[nH]c3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COC(=O)c1cc[nH]c1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.33 | Num_heavy_atoms: | 27 |
| TPSA: | 181.37 | 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 |
AD08575
Formula: C6H7O2N
Smiles:
COC(=O)c1cc[nH]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.09 | NumAromaticRings: | 1 |
