Glycoside
GD109730
Name:
NoneFormula:
C25H28O6N4SSmiles:
Cc1ccc(S(=O)(=O)OCC(=O)[C@H](O)[C@H](O)/C(=C/NNc2ccccc2)NNc2ccccc2)cc1Aglycone:
C(=CNNc1ccccc1)NNc1ccccc1.Cc1ccc([S](=O)=O)cc1Sugarmoiety:
O=C(COO)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.16 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 13 |
| MolWt: | 512.59 | Num_heavy_atoms: | 36 |
| TPSA: | 149.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD00423
Formula: C7H7O2S
Smiles:
Cc1ccc([S](=O)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.2 | Num_heavy_atoms: | 10 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
AD33441
Formula: C14H16N4
Smiles:
C(=CNNc1ccccc1)NNc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 240.31 | Num_heavy_atoms: | 18 |
| TPSA: | 48.12 | NumAromaticRings: | 2 |
