Glycoside
GD021153
Name:
NoneFormula:
C13H16O7N2Smiles:
O=C1NCCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(C(=O)O)c21Aglycone:
O=C(O)c1[nH]cc2c1C(=O)NCC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.28 | Num_heavy_atoms: | 22 |
| TPSA: | 141.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD14500
Formula: C8H8O3N2
Smiles:
O=C(O)c1[nH]cc2c1C(=O)NCC2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 82.19 | NumAromaticRings: | 1 |
