Glycoside
GD011942
Name:
NoneFormula:
C23H26O8N2SSmiles:
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1CAglycone:
CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.53 | Num_heavy_atoms: | 34 |
| TPSA: | 154.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD03984
Formula: C17H16O3N2S
Smiles:
CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.39 | Num_heavy_atoms: | 23 |
| TPSA: | 75.11 | NumAromaticRings: | 2 |
