Glycoside
GD006388
Name:
NoneFormula:
C36H28O17Smiles:
O=C1c2c(O)cc(O)cc2O[C@]2(c3ccc(O)cc3)O[C@]12c1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12Aglycone:
O=C1c2c(O)cc(O)cc2OC2(c3ccc(O)cc3)OC12c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.22 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 732.6 | Num_heavy_atoms: | 53 |
| TPSA: | 289.8 | NumAromaticRings: | 5 |
Unique Aglycone
AD05293
Formula: C30H18O12
Smiles:
O=C1c2c(O)cc(O)cc2OC2(c3ccc(O)cc3)OC12c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 570.46 | Num_heavy_atoms: | 42 |
| TPSA: | 210.65 | NumAromaticRings: | 5 |
