Glycoside
GD036156
Name:
NoneFormula:
C15H15O6N5Smiles:
O=C(OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@H]1O)c1ccc[nH]1Aglycone:
COC(=O)c1ccc[nH]1.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.31 | Num_heavy_atoms: | 26 |
| TPSA: | 155.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD19997
Formula: C6H7O2N
Smiles:
COC(=O)c1ccc[nH]1| 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 |
