Glycoside
GD036677
Name:
NoneFormula:
C18H18O4N5ClSmiles:
NN=c1nc[nH]c2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@H](O)[C@H]1OAglycone:
NN=c1nc[nH]c2c1C=C[N]2.OCc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 391.82 | Num_heavy_atoms: | 27 |
| TPSA: | 141.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD00253
Formula: C8H7OCl
Smiles:
OCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.59 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD23130
Formula: C6H6N5
Smiles:
NN=c1nc[nH]c2c1C=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 81.16 | NumAromaticRings: | 1 |
