Glycoside
GD112592
Name:
NoneFormula:
C27H16O7N2Cl2Smiles:
N#Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1Aglycone:
N#Cc1ccc(N)cc1.O=Cc1ccccc1Cl.O=Cc1ccccc1ClSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 527.32 | Num_heavy_atoms: | 36 |
| TPSA: | 142.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD25413
Formula: C8H5OCl
Smiles:
O=Cc1ccccc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.57 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD44039
Formula: C7H6N2
Smiles:
N#Cc1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.14 | Num_heavy_atoms: | 9 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
