Glycoside
GD036141
Name:
NoneFormula:
C40H42O18Smiles:
OC[C@@H]1O[C@H](Oc2c(O)cc(O)cc2C=Cc2ccc3c(c2)[C@H](c2cc(O)cc(O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](c2ccc(O)cc2)O3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C2Oc3ccc(C=Cc4cc(O)cc(O)c4O)cc3C2c2cc(O)cc(O)c2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.35 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 810.76 | Num_heavy_atoms: | 58 |
| TPSA: | 309.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD22823
Formula: C28H22O8
Smiles:
Oc1ccc(C2Oc3ccc(C=Cc4cc(O)cc(O)c4O)cc3C2c2cc(O)cc(O)c2O)cc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.48 | Num_heavy_atoms: | 36 |
| TPSA: | 150.84 | NumAromaticRings: | 4 |
