Glycoside
GD031087
Name:
NoneFormula:
C16H18O9N3PSmiles:
NC(=O)c1[nH]nc([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c1OCc1ccccc1Aglycone:
COP(=O)([O-])[O-].NC(=O)c1[nH]ncc1OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 427.31 | Num_heavy_atoms: | 29 |
| TPSA: | 203.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD01339
Formula: CH3O4P
Smiles:
COP(=O)([O-])[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 72.42 | NumAromaticRings: | 0 |
AD11011
Formula: C11H11O2N3
Smiles:
NC(=O)c1[nH]ncc1OCc1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 217.23 | Num_heavy_atoms: | 16 |
| TPSA: | 81.0 | NumAromaticRings: | 2 |
