Glycoside
GD035215
Name:
NoneFormula:
C35H56O17N8Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CNC(=O)CCC(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N[C@H](CC(=O)O)C(N)=O)[C@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)CCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(N)=O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 21 | FractionCSP3: | 0.69 |
| AlogP: | -8.51 | Num_rotatable_bonds: | 18 |
| MolWt: | 860.87 | Num_heavy_atoms: | 60 |
| TPSA: | 450.3 | 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 |
AD22296
Formula: C18H24O7N4
Smiles:
CNC(=O)CCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(N)=O| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 408.41 | Num_heavy_atoms: | 29 |
| TPSA: | 187.92 | NumAromaticRings: | 1 |
