Glycoside
GD139030
Name:
NoneFormula:
C13H21O9N3Smiles:
Cc1c([NH+]([O-])O)cc(NC2OC(CO)C(O)C(O)C2O)cc1[NH+]([O-])OAglycone:
Cc1c([NH+]([O-])O)cc(N)cc1[NH+]([O-])OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 363.32 | Num_heavy_atoms: | 25 |
| TPSA: | 197.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD56076
Formula: C7H11O4N3
Smiles:
Cc1c([NH+]([O-])O)cc(N)cc1[NH+]([O-])O| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 201.18 | Num_heavy_atoms: | 14 |
| TPSA: | 121.48 | NumAromaticRings: | 1 |
