Glycoside
GD083083
Name:
IsorutarinFormula:
C20H24O10Smiles:
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3c(O)c2O1Aglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.4 | Num_heavy_atoms: | 30 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00868
Formula: C14H14O5
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
