Glycoside
GD153943
Name:
sinapyl alcohol; (e)-form, 4'-o-[β-d-glucopyranosyl-(1->5)-β-d-apiofuranoside]Formula:
C22H32O13Smiles:
COc1cc(C=CCO)cc(OC)c1OC1OCC(O)(COC2OC(CO)C(O)C(O)C2O)C1OAglycone:
COc1cc(C=CCO)cc(OC)c1OSugarmoiety:
OCC1OC(OCC2(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 196.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD05747
Formula: C11H14O4
Smiles:
COc1cc(C=CCO)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
