Glycoside
GD030051
Name:
4'-O-GlucosylaciculatinFormula:
C28H32O13Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)oc2c1[C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1Aglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C1CC(O)C(O)C(C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.55 | Num_heavy_atoms: | 41 |
| TPSA: | 208.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD19473
Formula: C22H22O8
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C1CC(O)C(O)C(C)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
