Glycoside
GD027798
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 4-hydroxybenzoateFormula:
C22H28O12Smiles:
O=C(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]12)c1ccc(O)cc1Aglycone:
O=C(OC1CC(O)(CO)C2C(O)OC=CC12)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.45 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD05190
Formula: C16H18O7
Smiles:
O=C(OC1CC(O)(CO)C2C(O)OC=CC12)c1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.31 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
