Glycoside
GD033083
Name:
LIGUROBUSTOSIDE MFormula:
C26H40O15Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCCc3ccc(O)cc3)O[C@@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.77 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.59 | Num_heavy_atoms: | 41 |
| TPSA: | 237.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |