Glycoside
GD010937
Name:
NoneFormula:
C21H18O6N3ClSmiles:
N#Cc1cnc2c(ccn2-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1Aglycone:
N#Cc1cnc2c(ccn2-c2ccc(O)c(Cl)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.83 | Num_heavy_atoms: | 30 |
| TPSA: | 140.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD08391
Formula: C15H8ON3Cl
Smiles:
N#Cc1cnc2c(ccn2-c2ccc(O)c(Cl)c2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 269.69 | Num_heavy_atoms: | 19 |
| TPSA: | 61.84 | NumAromaticRings: | 3 |
