Glycoside
GD016881
Name:
RADULOSIDEFormula:
C38H50O23Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1[C@H](CO[C@@H]2OC[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H]2O)O[C@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1(O)COC(OC2COC(OCC3OC(O)C(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.61 |
| AlogP: | -4.47 | Num_rotatable_bonds: | 16 |
| MolWt: | 874.8 | Num_heavy_atoms: | 61 |
| TPSA: | 363.13 | NumAromaticRings: | 2 |
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 |
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
