Glycoside
GD024346
Name:
5-O-[B-D-Apiofuranosyl-(1-6)-B-D-Glucopyranosyl]-7-Methoxy-30_40-Dihydroxy-4-PhenylcoumarinFormula:
C27H30O15Smiles:
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1Aglycone:
COc1cc(O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD09353
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
