Glycoside
GD111829
Name:
NoneFormula:
C25H16O7N2Cl2Smiles:
O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1)c1ccc(Cl)cc1Aglycone:
Nc1cccnc1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(Cl)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 503.29 | Num_heavy_atoms: | 34 |
| TPSA: | 131.89 | 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 |
AD40394
Formula: C5H6N2
Smiles:
Nc1cccnc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.12 | Num_heavy_atoms: | 7 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
