Glycoside
GD107364
Name:
NoneFormula:
C25H33O10N2Smiles:
COc1ccc(C[C@@H](C)[NH2+]C[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccc(O)c(NC=O)c2)cc1Aglycone:
COc1ccc(CC(C)[NH2+]CC(O)c2ccc(O)c(NC=O)c2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 521.54 | Num_heavy_atoms: | 37 |
| TPSA: | 191.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD44188
Formula: C19H25O4N2
Smiles:
COc1ccc(CC(C)[NH2+]CC(O)c2ccc(O)c(NC=O)c2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 345.42 | Num_heavy_atoms: | 25 |
| TPSA: | 95.4 | NumAromaticRings: | 2 |
