Glycoside
GD140365
Name:
methyl 7-ethyl-7-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C18H26O10Smiles:
CCC1(O)C=CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CCC1(O)C=CC2C(C(=O)OC)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.4 | Num_heavy_atoms: | 28 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD56598
Formula: C12H16O5
Smiles:
CCC1(O)C=CC2C(C(=O)OC)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
