Glycoside
GD017361
Name:
NoneFormula:
C35H58O19N6Smiles:
CC(=O)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](CNC(C)=O)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](NC(C)=O)C[C@@H](NC(C)=O)[C@H]3O)[C@H]2O)[C@H](NC(C)=O)[C@H](O)[C@H]1OAglycone:
CC(=O)NC1CC(NC(C)=O)C(O)C(O)C1O.CNC(C)=O.CNC(C)=OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O.CC(=O)NC1C(OC2C(CO)OC(O)C2O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.83 |
| AlogP: | -7.83 | Num_rotatable_bonds: | 15 |
| MolWt: | 866.87 | Num_heavy_atoms: | 60 |
| TPSA: | 371.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01364
Formula: C10H18O5N2
Smiles:
CC(=O)NC1CC(NC(C)=O)C(O)C(O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 17 |
| TPSA: | 118.89 | NumAromaticRings: | 0 |
