Glycoside
GD105492
Name:
NoneFormula:
C28H27O7NSmiles:
Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2C)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1Aglycone:
Cc1ccc(C=O)cc1.Cc1ccc(C=O)cc1.Cc1ccc(N)c(C)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 489.52 | Num_heavy_atoms: | 36 |
| TPSA: | 119.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD01408
Formula: C8H8O
Smiles:
Cc1ccc(C=O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD06275
Formula: C8H11N
Smiles:
Cc1ccc(N)c(C)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.18 | Num_heavy_atoms: | 9 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
