Glycoside
GD112398
Name:
NoneFormula:
C28H19O9NCl2Smiles:
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)c1Aglycone:
COC(=O)c1cccc(N)c1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(Cl)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.34 | Num_heavy_atoms: | 38 |
| TPSA: | 145.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD40392
Formula: C8H5OCl
Smiles:
O=Cc1ccc(Cl)cc1| 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 |
AD44024
Formula: C8H9O2N
Smiles:
COC(=O)c1cccc(N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
