Glycoside
GD045927
Name:
NoneFormula:
C13H17O7NSmiles:
CCC(=O)OC[C@@H]1O[C@@H](n2ccc(O)cc2=O)[C@@H](O)[C@@H]1OAglycone:
CCC(=O)OC.O=c1cc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 299.28 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD02628
Formula: C5H5O2N
Smiles:
O=c1cc(O)cc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
