Glycoside
GD026699
Name:
NoneFormula:
C26H26O11N4SSmiles:
COc1ccc(C2C(C#N)=C(N)NC(S[C@@H]3O[C@H](OC(C)=O)[C@H](OC(=O)O)[C@H](OC(C)=O)[C@H]3OC(C)=O)=C2C#N)cc1Aglycone:
COc1ccc(C2C(C#N)=C(N)NC(S)=C2C#N)cc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(=O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 602.58 | Num_heavy_atoms: | 42 |
| TPSA: | 229.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD06177
Formula: C14H12ON4S
Smiles:
COc1ccc(C2C(C#N)=C(N)NC(S)=C2C#N)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.34 | Num_heavy_atoms: | 20 |
| TPSA: | 94.86 | NumAromaticRings: | 1 |
