Glycoside
GD007477
Name:
4a,5-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C24H30O12Smiles:
C[C@]1(OC(=O)C=Cc2ccc(O)cc2)C[C@H](O)[C@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC1(OC(=O)C=Cc2ccc(O)cc2)CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD06091
Formula: C18H20O7
Smiles:
CC1(OC(=O)C=Cc2ccc(O)cc2)CC(O)C2(O)C=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
