Glycoside
GD011247
Name:
NoneFormula:
C22H22O6N2SSmiles:
N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1ccco1Aglycone:
N#CC1=C(S)NC(c2ccccc2)=CC1c1ccco1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 442.49 | Num_heavy_atoms: | 31 |
| TPSA: | 130.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD08617
Formula: C16H12ON2S
Smiles:
N#CC1=C(S)NC(c2ccccc2)=CC1c1ccco1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.35 | Num_heavy_atoms: | 20 |
| TPSA: | 48.96 | NumAromaticRings: | 2 |
