Glycoside
GD151015
Name:
4-formyl-7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C25H30O12Smiles:
CC1(O)C(OC(=O)C=Cc2ccc(O)cc2)CC2C(C=O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)C(OC(=O)C=Cc2ccc(O)cc2)CC2C(C=O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD60268
Formula: C19H20O7
Smiles:
CC1(O)C(OC(=O)C=Cc2ccc(O)cc2)CC2C(C=O)=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
