Glycoside
GD140414
Name:
NpratFormula:
C12H16O9NPSmiles:
O=C(O)c1ccccc1NC1OC(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.Nc1ccccc1C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 349.23 | Num_heavy_atoms: | 23 |
| TPSA: | 165.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD11856
Formula: C7H7O2N
Smiles:
Nc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
