Glycoside
GD143406
Name:
methyl 4'-ethyl-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylateFormula:
C21H26O11Smiles:
CCC1=CC2(C=CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C32)OC1=OAglycone:
CCC1=CC2(C=CC3C(C(=O)OC)=COC(O)C32)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.43 | Num_heavy_atoms: | 32 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD57681
Formula: C15H16O6
Smiles:
CCC1=CC2(C=CC3C(C(=O)OC)=COC(O)C32)OC1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 292.29 | Num_heavy_atoms: | 21 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
