Glycoside
GD017031
Name:
Prinsepiol 4-O-Beta-D-GlucopyranosideFormula:
C26H32O13Smiles:
COc1cc([C@@H]2OC[C@]3(O)[C@H](c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1OAglycone:
COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD12200
Formula: C20H22O8
Smiles:
COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23O)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
