Glycoside
GD005719
Name:
NoneFormula:
C21H35O13N3Smiles:
C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CN=[N+]=[N-])C(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
OC1CCCCC1O.[N-]=[N+]=NCC(O)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 537.52 | Num_heavy_atoms: | 37 |
| TPSA: | 253.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD04819
Formula: C3H5O3N3
Smiles:
[N-]=[N+]=NCC(O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.09 | Num_heavy_atoms: | 9 |
| TPSA: | 106.29 | NumAromaticRings: | 0 |
