Glycoside
GD025516
Name:
NoneFormula:
C12H14O8N2Smiles:
O=C(O)C=Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
O=C(O)C=Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.25 | Num_heavy_atoms: | 22 |
| TPSA: | 162.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD16912
Formula: C7H6O4N2
Smiles:
O=C(O)C=Cc1c[nH]c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.13 | Num_heavy_atoms: | 13 |
| TPSA: | 103.02 | NumAromaticRings: | 1 |
