Glycoside
GD131779
Name:
Piceaside AFormula:
C40H42O18Smiles:
OCC1OC(Oc2cc(O)cc(C=Cc3cc(O)c4c(c3)C(c3cc(O)cc(OC5OC(CO)C(O)C(O)C5O)c3)C(c3ccc(O)c(O)c3)O4)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)cc(C=Cc2cc(O)c3c(c2)C(c2cc(O)cc(O)c2)C(c2ccc(O)c(O)c2)O3)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.35 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 810.76 | Num_heavy_atoms: | 58 |
| TPSA: | 309.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD53373
Formula: C28H22O8
Smiles:
Oc1cc(O)cc(C=Cc2cc(O)c3c(c2)C(c2cc(O)cc(O)c2)C(c2ccc(O)c(O)c2)O3)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.48 | Num_heavy_atoms: | 36 |
| TPSA: | 150.84 | NumAromaticRings: | 4 |
