Glycoside
GD034075
Name:
NoneFormula:
C16H20O8N2Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2nc3ccc(C(=O)O)cc3[nH]2)[C@H]1OAglycone:
O=C(O)c1ccc2nc(CO)[nH]c2c1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 154.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD19664
Formula: C9H8O3N2
Smiles:
O=C(O)c1ccc2nc(CO)[nH]c2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 86.21 | NumAromaticRings: | 2 |
