Glycoside
GD017742
Name:
NoneFormula:
C11H12O5N2Smiles:
C#Cc1cn([C@@H]2O[C@H](C)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
C#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 252.23 | Num_heavy_atoms: | 18 |
| TPSA: | 104.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD01629
Formula: C6H4O2N2
Smiles:
C#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.11 | Num_heavy_atoms: | 10 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
