Glycoside
GD033136
Name:
NoneFormula:
C26H43O19N5Smiles:
CC(=O)N[C@@H]1[C@H](OCN=[N+]=[N-])O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1.[N-]=[N+]=NCOSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.88 |
| AlogP: | -6.79 | Num_rotatable_bonds: | 15 |
| MolWt: | 729.65 | Num_heavy_atoms: | 50 |
| TPSA: | 381.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD04680
Formula: C12H21O9N
Smiles:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 165.78 | NumAromaticRings: | 0 |
AD21175
Formula: CH3ON3
Smiles:
[N-]=[N+]=NCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.05 | Num_heavy_atoms: | 5 |
| TPSA: | 68.99 | NumAromaticRings: | 0 |
