Glycoside
GD069992
Name:
NoneFormula:
C17H16O5N3ClSmiles:
N#Cc1c(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc2ccccc2c1ClAglycone:
N#Cc1c(N)nc2ccccc2c1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.77 | Num_heavy_atoms: | 25 |
| TPSA: | 138.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD33160
Formula: C11H6N3Cl
Smiles:
N#Cc1c(N)nc2ccccc2c1Cl| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 203.63 | Num_heavy_atoms: | 14 |
| TPSA: | 62.7 | NumAromaticRings: | 2 |
