Glycoside
GD013871
Name:
NoneFormula:
C25H28O7N2SSmiles:
COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1Aglycone:
COc1ccc(-c2c3c([nH]c(=S)c2C#N)CC(C)(C)CC3=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.57 | Num_heavy_atoms: | 35 |
| TPSA: | 145.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD10287
Formula: C19H18O2N2S
Smiles:
COc1ccc(-c2c3c([nH]c(=S)c2C#N)CC(C)(C)CC3=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.43 | Num_heavy_atoms: | 24 |
| TPSA: | 65.88 | NumAromaticRings: | 2 |
