Glycoside
GD000596
Name:
NoneFormula:
C22H26O7N2SSmiles:
COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(C)=C2C(C)=O)cc1Aglycone:
COc1ccc(C2C(C#N)=C(S)NC(C)=C2C(C)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.52 | Num_heavy_atoms: | 32 |
| TPSA: | 143.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD00646
Formula: C16H16O2N2S
Smiles:
COc1ccc(C2C(C#N)=C(S)NC(C)=C2C(C)=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.38 | Num_heavy_atoms: | 21 |
| TPSA: | 62.12 | NumAromaticRings: | 1 |
