Glycoside
GD013841
Name:
NoneFormula:
C22H22O5N2S2Smiles:
N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1cccs1Aglycone:
N#CC1=C(S)NC(c2ccccc2)=CC1c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.56 | Num_heavy_atoms: | 31 |
| TPSA: | 117.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD06067
Formula: C16H12N2S2
Smiles:
N#CC1=C(S)NC(c2ccccc2)=CC1c1cccs1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.42 | Num_heavy_atoms: | 20 |
| TPSA: | 35.82 | NumAromaticRings: | 2 |
