Glycoside
GD019034
Name:
NoneFormula:
C19H20O6N6Smiles:
NC(=O)c1c(N)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COC(=O)c1ccccc1.NC(=O)C1=C(N)[N]c2ncnc(N)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.41 | Num_heavy_atoms: | 31 |
| TPSA: | 201.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD11808
Formula: C7H7ON6
Smiles:
NC(=O)C1=C(N)[N]c2ncnc(N)c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.17 | Num_heavy_atoms: | 14 |
| TPSA: | 135.01 | NumAromaticRings: | 1 |
