Glycoside
GD058305
Name:
NoneFormula:
C12H12O10N2Smiles:
O=C1CC(=O)N(OC(=O)[C@H](O)[C@@H](O)C(=O)ON2C(=O)CCC2=O)C1Aglycone:
O=C1CCC(=O)N1.O=C1CNC(=O)C1Sugarmoiety:
O=C(OO)C(O)C(O)C(=O)OOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.23 | Num_heavy_atoms: | 24 |
| TPSA: | 167.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD29161
Formula: C4H5O2N
Smiles:
O=C1CCC(=O)N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 99.09 | Num_heavy_atoms: | 7 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD29168
Formula: C4H5O2N
Smiles:
O=C1CNC(=O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 99.09 | Num_heavy_atoms: | 7 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
