Glycoside
GD135608
Name:
methyl 4'-{1-[(3-{4-[(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}prop-2-enoyl)oxy]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:
C37H44O18Smiles:
CCC1OC(Oc2ccc(C=CC(=O)OC(C)C3=CC4(C=CC5C(C(=O)OC)=COC(OC6OC(CO)C(O)C(O)C6O)C54)OC3=O)cc2)C(O)C(O)C1OAglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 776.74 | Num_heavy_atoms: | 55 |
| TPSA: | 266.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD00767
Formula: C24H22O9
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.43 | Num_heavy_atoms: | 33 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
