Glycoside
GD139583
Name:
ethyl 5-hydroxy-7-({[(methylsulfanyl)carbonyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C20H28O12SSmiles:
CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)SC)=CC(O)C12Aglycone:
CCOC(=O)C1=COC(O)C2C(COC(=O)SC)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.5 | Num_heavy_atoms: | 33 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD56290
Formula: C14H18O7S
Smiles:
CCOC(=O)C1=COC(O)C2C(COC(=O)SC)=CC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.36 | Num_heavy_atoms: | 22 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
