Glycoside
GD129645
Name:
{6-[(4-cyanobut-1-en-1-yl)sulfanyl]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C21H25O8NSSmiles:
COc1cc(C=CC(=O)OCC2OC(SC=CCCC#N)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.N#CCCC=CSSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 149.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD52520
Formula: C5H7NS
Smiles:
N#CCCC=CS| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 113.18 | Num_heavy_atoms: | 7 |
| TPSA: | 23.79 | NumAromaticRings: | 0 |
