Glycoside
GD031702
Name:
NoneFormula:
C14H21O10N3Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn([C@H](CC(=O)O)C(=O)O)nn2)[C@H]1OAglycone:
O=C(O)CC(C(=O)O)n1cc(CO)nn1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 391.33 | Num_heavy_atoms: | 27 |
| TPSA: | 193.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD20403
Formula: C7H9O5N3
Smiles:
O=C(O)CC(C(=O)O)n1cc(CO)nn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 215.16 | Num_heavy_atoms: | 15 |
| TPSA: | 125.54 | NumAromaticRings: | 1 |
