Glycoside
GD122333
Name:
Piceaside DFormula:
C41H44O18Smiles:
COc1cc(C2Oc3c(O)cc(C=Cc4cc(O)cc(OC5OC(CO)C(O)C(O)C5O)c4)cc3C2c2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)ccc1OAglycone:
COc1cc(C2Oc3c(O)cc(C=Cc4cc(O)cc(O)c4)cc3C2c2cc(O)cc(O)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.37 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 824.79 | Num_heavy_atoms: | 59 |
| TPSA: | 298.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD49284
Formula: C29H24O8
Smiles:
COc1cc(C2Oc3c(O)cc(C=Cc4cc(O)cc(O)c4)cc3C2c2cc(O)cc(O)c2)ccc1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.1 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.5 | Num_heavy_atoms: | 37 |
| TPSA: | 139.84 | NumAromaticRings: | 4 |
