Glycoside
GD021422
Name:
NoneFormula:
C32H56O14N6Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2OCCNCc2ccccc2)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.OCCNCc1ccccc1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 18 | FractionCSP3: | 0.81 |
| AlogP: | -7.05 | Num_rotatable_bonds: | 15 |
| MolWt: | 748.83 | Num_heavy_atoms: | 52 |
| TPSA: | 348.35 | 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 |
AD14654
Formula: C9H13ON
Smiles:
OCCNCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 151.21 | Num_heavy_atoms: | 11 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
