Glycoside
GD016226
Name:
KANKANOSEFormula:
C28H40O18Smiles:
C[C@@H]1O[C@H](CO[C@@H]2[C@H](O)[C@H](O)O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(COC2C(O)C(O)OC(COC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.68 |
| AlogP: | -4.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 664.61 | Num_heavy_atoms: | 46 |
| TPSA: | 294.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
