Glycoside
GD033843
Name:
NoneFormula:
C21H34O6N4Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CNCC=Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H]1OAglycone:
CNCC=Cc1ccccc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.53 | Num_heavy_atoms: | 31 |
| TPSA: | 189.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD20467
Formula: C10H13N
Smiles:
CNCC=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 147.22 | Num_heavy_atoms: | 11 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
