Glycoside
GD023298
Name:
STYRAXLIGNOLIDE BFormula:
C26H28O12Smiles:
COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC(=O)[C@@H]23)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OC(=O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD15689
Formula: C20H18O7
Smiles:
COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OC(=O)C23)ccc1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
