Glycoside
GD088188
Name:
NoneFormula:
C18H27O9N3Smiles:
CC(C)(C)OC(=O)N1CCc2onc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2C1Aglycone:
CC(C)(C)OC(=O)N1CCc2onc(CN)c2C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.43 | Num_heavy_atoms: | 30 |
| TPSA: | 182.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD38609
Formula: C12H19O3N3
Smiles:
CC(C)(C)OC(=O)N1CCc2onc(CN)c2C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 253.3 | Num_heavy_atoms: | 18 |
| TPSA: | 81.59 | NumAromaticRings: | 1 |
