Glycoside
GD008453
Name:
7-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C24H30O12Smiles:
O=C(C=Cc1ccc(O)cc1)O[C@@H]1C[C@](O)(CO)[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC=C[C@@H]12Aglycone:
O=C(C=Cc1ccc(O)cc1)OC1CC(O)(CO)C2C(O)OC=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD06749
Formula: C18H20O7
Smiles:
O=C(C=Cc1ccc(O)cc1)OC1CC(O)(CO)C2C(O)OC=CC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
