Glycoside
GD032089
Name:
NoneFormula:
C14H23O9N3Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn([C@H](C(=O)O)[C@H](C)O)nn2)[C@H]1OAglycone:
CC(O)C(C(=O)O)n1cc(CO)nn1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 377.35 | Num_heavy_atoms: | 26 |
| TPSA: | 176.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD03230
Formula: C7H11O4N3
Smiles:
CC(O)C(C(=O)O)n1cc(CO)nn1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 201.18 | Num_heavy_atoms: | 14 |
| TPSA: | 108.47 | NumAromaticRings: | 1 |
