Glycoside
GD005836
Name:
NoneFormula:
C34H42O6N4Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](OCc2ccc3ccccc3c2)[C@H]1OCc1ccc2ccccc2c1Aglycone:
NC1CC(N)C(O)C(O)C1O.OCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 602.73 | Num_heavy_atoms: | 44 |
| TPSA: | 181.46 | NumAromaticRings: | 4 |
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 |
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
