Glycoside
GD020057
Name:
NoneFormula:
C24H24O5N2SSmiles:
N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1ccccc1Aglycone:
N#CC1=C(S)NC(c2ccccc2)=CC1c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.53 | Num_heavy_atoms: | 32 |
| TPSA: | 117.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD13904
Formula: C18H14N2S
Smiles:
N#CC1=C(S)NC(c2ccccc2)=CC1c1ccccc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.39 | Num_heavy_atoms: | 21 |
| TPSA: | 35.82 | NumAromaticRings: | 2 |
