Glycoside
GD013263
Name:
E163Formula:
C32H39O20Smiles:
C[C@@H]1O[C@H](O[C@@H]2O[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[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@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1Sugarmoiety:
CC1OC(OC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.53 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 743.64 | Num_heavy_atoms: | 52 |
| TPSA: | 329.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD01529
Formula: C15H11O6
Smiles:
Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 287.25 | Num_heavy_atoms: | 21 |
| TPSA: | 112.45 | NumAromaticRings: | 3 |
