Glycoside
GD087948
Name:
NoneFormula:
C19H28O8N4Smiles:
C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2Aglycone:
CC1N(c2cnn(C)c2)C(=O)COC12CCNCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 165.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD38552
Formula: C13H20O2N4
Smiles:
CC1N(c2cnn(C)c2)C(=O)COC12CCNCC2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.33 | Num_heavy_atoms: | 19 |
| TPSA: | 59.39 | NumAromaticRings: | 1 |
