Glycoside
GD019199
Name:
NoneFormula:
C33H44O6N4Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](OCc3ccccc3)[C@H]2O)[C@H](N)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
NC1CC(N)C(OCc2ccccc2)C(O)C1O.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 592.74 | Num_heavy_atoms: | 43 |
| TPSA: | 170.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD00043
Formula: C13H20O3N2
Smiles:
NC1CC(N)C(OCc2ccccc2)C(O)C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.31 | Num_heavy_atoms: | 18 |
| TPSA: | 101.73 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
