Glycoside
GD091127
Name:
NoneFormula:
C23H30O7N2Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1CC=C[C@H]2CCN(Cc3ccccc3)C(=O)[C@@H]12Aglycone:
NC(=O)C1CC=CC2CCN(Cc3ccccc3)C(=O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD39722
Formula: C17H20O2N2
Smiles:
NC(=O)C1CC=CC2CCN(Cc3ccccc3)C(=O)C21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.36 | Num_heavy_atoms: | 21 |
| TPSA: | 63.4 | NumAromaticRings: | 1 |
