Glycoside
GD006041
Name:
NoneFormula:
C33H56O14N8Smiles:
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]2OCCNCc2nc3ccccc3[nH]2)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.OCCNCc1nc2ccccc2[nH]1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 19 | FractionCSP3: | 0.79 |
| AlogP: | -7.17 | Num_rotatable_bonds: | 15 |
| MolWt: | 788.85 | Num_heavy_atoms: | 55 |
| TPSA: | 377.03 | NumAromaticRings: | 2 |
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 |
AD05036
Formula: C10H13ON3
Smiles:
OCCNCc1nc2ccccc2[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 191.23 | Num_heavy_atoms: | 14 |
| TPSA: | 60.94 | NumAromaticRings: | 2 |
