Glycoside
GD091721
Name:
NoneFormula:
C20H25O6N5Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(-c3c[nH]c4ccccc34)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(-c2c[nH]c3ccccc23)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.45 | Num_heavy_atoms: | 31 |
| TPSA: | 154.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD40001
Formula: C12H12ON4
Smiles:
OCCn1cc(-c2c[nH]c3ccccc23)nn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 66.73 | NumAromaticRings: | 3 |
