Glycoside
GD140421
Name:
Piceaside FFormula:
C41H44O18Smiles:
COc1cc(C2Oc3cc(C=Cc4cc(O)cc(OC5OC(CO)C(O)C(O)C5O)c4)ccc3OC2c2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)ccc1OAglycone:
COc1cc(C2Oc3cc(C=Cc4cc(O)cc(O)c4)ccc3OC2c2cc(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: | 11 | FractionCSP3: | 0.37 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 824.79 | Num_heavy_atoms: | 59 |
| TPSA: | 287.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD56625
Formula: C29H24O8
Smiles:
COc1cc(C2Oc3cc(C=Cc4cc(O)cc(O)c4)ccc3OC2c2cc(O)cc(O)c2)ccc1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.1 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.5 | Num_heavy_atoms: | 37 |
| TPSA: | 128.84 | NumAromaticRings: | 4 |
