Glycoside
GD010903
Name:
(2-Hydroxy-3-Methoxy-5-Allyl)Phenyl Beta-D-(6-O-E-Sinapoyl)GlucopyranosideFormula:
C27H32O12Smiles:
C=CCc1cc(OC)c(O)c(O[C@@H]2O[C@H](COC(=O)C=Cc3cc(OC)c(O)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
C=CCc1cc(O)c(O)c(OC)c1.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
CO.OC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 11 |
| MolWt: | 548.54 | Num_heavy_atoms: | 39 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD08364
Formula: C10H12O3
Smiles:
C=CCc1cc(O)c(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
