Glycoside
GD124700
Name:
methyl 7-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C25H30O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(OC(=O)C=Cc3ccc(O)cc3)CCC12Aglycone:
COC(=O)C1=COC(O)C2C(OC(=O)C=Cc3ccc(O)cc3)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD50394
Formula: C19H20O7
Smiles:
COC(=O)C1=COC(O)C2C(OC(=O)C=Cc3ccc(O)cc3)CCC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
