Glycoside
GD105268
Name:
NoneFormula:
C26H23O7NSmiles:
CCc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)OAglycone:
CCc1ccccc1N.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 461.47 | Num_heavy_atoms: | 34 |
| TPSA: | 119.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD15970
Formula: C8H11N
Smiles:
CCc1ccccc1N| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.18 | Num_heavy_atoms: | 9 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
