Glycoside
GD082682
Name:
NoneFormula:
C20H29O8N2Smiles:
COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCN1C(=O)c1ccccc1Aglycone:
COC(=O)C1CC([NH3+])CCN1C(=O)c1ccccc1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 425.46 | Num_heavy_atoms: | 30 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD37100
Formula: C14H19O3N2
Smiles:
COC(=O)C1CC([NH3+])CCN1C(=O)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.32 | Num_heavy_atoms: | 19 |
| TPSA: | 74.25 | NumAromaticRings: | 1 |
