Glycoside
GD011472
Name:
NoneFormula:
C18H19O9N3Smiles:
O=C(NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O)OCc1ccccc1Aglycone:
O=C(NC(=O)c1c[nH]c(=O)[nH]c1=O)OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 421.36 | Num_heavy_atoms: | 30 |
| TPSA: | 180.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD08771
Formula: C13H11O5N3
Smiles:
O=C(NC(=O)c1c[nH]c(=O)[nH]c1=O)OCc1ccccc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.25 | Num_heavy_atoms: | 21 |
| TPSA: | 121.12 | NumAromaticRings: | 2 |
