Glycoside
GD017952
Name:
NoneFormula:
C32H52O22N3Smiles:
COC(=O)[C@H](NC(C)=O)[C@H](C)O[C@@H]1O[C@H](CO[C@@]2(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=OAglycone:
COC(=O)C(NC(C)=O)C(C)O.COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.84 |
| AlogP: | -9.32 | Num_rotatable_bonds: | 17 |
| MolWt: | 830.77 | Num_heavy_atoms: | 57 |
| TPSA: | 391.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD01289
Formula: C12H20O9N
Smiles:
COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -4.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 322.29 | Num_heavy_atoms: | 22 |
| TPSA: | 168.61 | NumAromaticRings: | 0 |
AD02316
Formula: C7H13O4N
Smiles:
COC(=O)C(NC(C)=O)C(C)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 175.18 | Num_heavy_atoms: | 12 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
