Glycoside
GD061795
Name:
NoneFormula:
C16H17O5N3Smiles:
N#Cc1c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ncc2ccccc12Aglycone:
N#Cc1c(N)ncc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.33 | Num_heavy_atoms: | 24 |
| TPSA: | 138.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD30221
Formula: C10H7N3
Smiles:
N#Cc1c(N)ncc2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 169.19 | Num_heavy_atoms: | 13 |
| TPSA: | 62.7 | NumAromaticRings: | 2 |
