Glycoside
GD044712
Name:
NoneFormula:
C13H17O5N3Smiles:
CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)c(=O)nc1NAglycone:
CC#Cc1c[nH]c(=O)nc1NSugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.3 | Num_heavy_atoms: | 21 |
| TPSA: | 119.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD17028
Formula: C7H7ON3
Smiles:
CC#Cc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
