Glycoside
GD009027
Name:
NoneFormula:
C39H59O16N7Smiles:
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]2OCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.O=C1c2cccc3cccc(c23)C(=O)N1CCNCCOSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 18 | FractionCSP3: | 0.69 |
| AlogP: | -6.8 | Num_rotatable_bonds: | 16 |
| MolWt: | 881.93 | Num_heavy_atoms: | 62 |
| TPSA: | 385.73 | 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 |
AD07132
Formula: C16H16O3N2
Smiles:
O=C1c2cccc3cccc(c23)C(=O)N1CCNCCO| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.31 | Num_heavy_atoms: | 21 |
| TPSA: | 69.64 | NumAromaticRings: | 2 |
