Glycoside
GD081416
Name:
NoneFormula:
C18H21O8N3Smiles:
O=C(C(=O)N1CCc2onc(COc3ccccn3)c2C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1ccc(OCc2noc3c2CNCC3)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 407.38 | Num_heavy_atoms: | 29 |
| TPSA: | 166.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD36667
Formula: C12H13O2N3
Smiles:
c1ccc(OCc2noc3c2CNCC3)nc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.25 | Num_heavy_atoms: | 17 |
| TPSA: | 60.18 | NumAromaticRings: | 2 |
