Glycoside
GD044115
Name:
NoneFormula:
C13H18O6N2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2c1CCCC2Aglycone:
O=c1[nH]c2c(c(=O)[nH]1)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.3 | Num_heavy_atoms: | 21 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD06141
Formula: C8H10O2N2
Smiles:
O=c1[nH]c2c(c(=O)[nH]1)CCCC2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
