Glycoside
GD084924
Name:
NoneFormula:
C21H31O6N2Smiles:
[NH3+][C@H]1CC[C@@H](N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]2C[C@H]2c2ccccc2)CC1Aglycone:
[NH3+]C1CCC(NC2CC2c2ccccc2)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 407.49 | Num_heavy_atoms: | 29 |
| TPSA: | 145.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD38006
Formula: C15H23N2
Smiles:
[NH3+]C1CCC(NC2CC2c2ccccc2)CC1| HBA: | 2 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.36 | Num_heavy_atoms: | 17 |
| TPSA: | 39.67 | NumAromaticRings: | 1 |
