Glycoside
GD034052
Name:
NoneFormula:
C13H14O5N2Smiles:
C#Cc1c([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccnc1C(N)=OAglycone:
C#Cc1cccnc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.26 | Num_heavy_atoms: | 20 |
| TPSA: | 125.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD21690
Formula: C8H6ON2
Smiles:
C#Cc1cccnc1C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.15 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
