Glycoside
GD045015
Name:
NoneFormula:
C13H14O6N2Smiles:
C#Cc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccn1Aglycone:
C#Cc1cc(N)ccn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 294.26 | Num_heavy_atoms: | 21 |
| TPSA: | 139.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD25160
Formula: C7H6N2
Smiles:
C#Cc1cc(N)ccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.14 | Num_heavy_atoms: | 9 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
