Glycoside
GD096331
Name:
NoneFormula:
C24H29O7N2Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@]12C[N@H+](Cc3ccccc3)C[C@@H](O1)c1ccccc12Aglycone:
NC(=O)C12C[NH+](Cc3ccccc3)CC(O1)c1ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 457.5 | Num_heavy_atoms: | 33 |
| TPSA: | 132.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD40970
Formula: C18H19O2N2
Smiles:
NC(=O)C12C[NH+](Cc3ccccc3)CC(O1)c1ccccc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.36 | Num_heavy_atoms: | 22 |
| TPSA: | 56.76 | NumAromaticRings: | 2 |
