Glycoside
GD018241
Name:
ARBORTRISTOSIDE BFormula:
C26H32O15Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@H](O)[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@H]2COAglycone:
COC(=O)C1=COC(O)C2C(CO)C(OC(=O)C=Cc3ccc(O)c(O)c3)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.53 | Num_heavy_atoms: | 41 |
| TPSA: | 242.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD12904
Formula: C20H22O10
Smiles:
COC(=O)C1=COC(O)C2C(CO)C(OC(=O)C=Cc3ccc(O)c(O)c3)C(O)C12| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
