Glycoside
GD010053
Name:
NoneFormula:
C27H28O7N2SSmiles:
COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(c3ccccc3)=C2C(C)=O)cc1Aglycone:
COc1ccc(C2C(C#N)=C(S)NC(c3ccccc3)=C2C(C)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.6 | Num_heavy_atoms: | 37 |
| TPSA: | 143.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD07345
Formula: C21H18O2N2S
Smiles:
COc1ccc(C2C(C#N)=C(S)NC(c3ccccc3)=C2C(C)=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.45 | Num_heavy_atoms: | 26 |
| TPSA: | 62.12 | NumAromaticRings: | 2 |
