Glycoside
GD036970
Name:
NoneFormula:
C21H25O8N5PClSmiles:
COc1ccccc1CCNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COCP(=O)(O)O.COc1ccccc1CCNc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 529.87 | Num_heavy_atoms: | 35 |
| TPSA: | 181.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23312
Formula: C15H13ON5Cl
Smiles:
COc1ccccc1CCNc1nc(Cl)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 302.75 | Num_heavy_atoms: | 21 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
