Glycoside
GD021232
Name:
NoneFormula:
C36H36O6N2Smiles:
N#Cc1ccc(COCC(OCc2ccccc2)C(O)C(O)C(COCc2ccc(C#N)cc2)OCc2ccccc2)cc1Aglycone:
Cc1ccc(C#N)cc1.Cc1ccc(C#N)cc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
OOCC(OO)C(O)C(O)C(COO)OOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 17 |
| MolWt: | 592.69 | Num_heavy_atoms: | 44 |
| TPSA: | 124.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD01849
Formula: C8H7N
Smiles:
Cc1ccc(C#N)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.15 | Num_heavy_atoms: | 9 |
| TPSA: | 23.79 | NumAromaticRings: | 1 |
