Glycoside
GD154824
Name:
{6-[(4-cyanobut-1-en-1-yl)sulfanyl]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C22H27O9NSSmiles:
COc1cc(C=CC(=O)OCC2OC(SC=CCCC#N)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.N#CCCC=CSSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 481.52 | Num_heavy_atoms: | 33 |
| TPSA: | 158.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | 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 |
