Glycoside
GD115765
Name:
ethyl 5-hydroxy-7-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H32O13Smiles:
CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)C=Cc3ccc(O)cc3)=CC(O)C12Aglycone:
CCOC(=O)C1=COC(O)C2C(COC(=O)C=Cc3ccc(O)cc3)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD45858
Formula: C21H22O8
Smiles:
CCOC(=O)C1=COC(O)C2C(COC(=O)C=Cc3ccc(O)cc3)=CC(O)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
