Glycoside
GD032420
Name:
NoneFormula:
C27H29O18Smiles:
O=c1c(O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c12Aglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c12Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 641.51 | Num_heavy_atoms: | 45 |
| TPSA: | 312.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD20797
Formula: C15H9O8
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 317.23 | Num_heavy_atoms: | 23 |
| TPSA: | 154.42 | NumAromaticRings: | 3 |
