Glycoside
GD088158
Name:
NoneFormula:
C19H30O8N4Smiles:
CC(C)(C)OC(=O)N1CCCn2cnc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2C1Aglycone:
CC(C)(C)OC(=O)N1CCCn2cnc(CN)c2C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.47 | Num_heavy_atoms: | 31 |
| TPSA: | 174.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD38601
Formula: C13H22O2N4
Smiles:
CC(C)(C)OC(=O)N1CCCn2cnc(CN)c2C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 73.38 | NumAromaticRings: | 1 |
