Glycoside
GD150826
Name:
1-[5-(prop-1-yn-1-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}thiophen-2-yl]ethan-1-oneFormula:
C15H18O7SSmiles:
CC#Cc1cc(OC2OC(CO)C(O)C(O)C2O)c(C(C)=O)s1Aglycone:
CC#Cc1cc(O)c(C(C)=O)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.37 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD60205
Formula: C9H8O2S
Smiles:
CC#Cc1cc(O)c(C(C)=O)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.23 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
