Glycoside
GD029921
Name:
NoneFormula:
C12H15O5N3Smiles:
CC#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)nc1C(N)=OAglycone:
CC#CC1=C[N]N=C1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.27 | Num_heavy_atoms: | 20 |
| TPSA: | 130.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD11546
Formula: C7H6ON3
Smiles:
CC#CC1=C[N]N=C1C(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.14 | Num_heavy_atoms: | 11 |
| TPSA: | 69.55 | NumAromaticRings: | 0 |
