Glycoside
GD105300
Name:
NoneFormula:
C27H22O7N2Smiles:
Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(C#N)cc2)c1Aglycone:
Cc1cccc(C=O)c1.Cc1cccc(C=O)c1.N#Cc1ccc(N)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.48 | Num_heavy_atoms: | 36 |
| TPSA: | 142.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD44026
Formula: C8H8O
Smiles:
Cc1cccc(C=O)c1| 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 |
AD44039
Formula: C7H6N2
Smiles:
N#Cc1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.14 | Num_heavy_atoms: | 9 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
