Glycoside
GD022160
Name:
NoneFormula:
C28H30O9N4SSmiles:
CC(=O)OCC1OC(NC(=S)NNc2c3ccccc3nc3ccccc23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.NC(=S)NNc1c2ccccc2nc2ccccc12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.63 | Num_heavy_atoms: | 42 |
| TPSA: | 163.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD15059
Formula: C14H12N4S
Smiles:
NC(=S)NNc1c2ccccc2nc2ccccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 62.97 | NumAromaticRings: | 3 |
