Glycoside
GD134043
Name:
2-(3,4-Dihydroxyphenyl)Ethanol; 3',4'-Di-Me Ether, 1-O-[3,4-Dimethoxy-E-Cinnamoyl-(->4)-β-D-Glucopyranoside]Formula:
C27H34O11Smiles:
COc1ccc(C=CC(=O)OC2C(CO)OC(OCCc3ccc(OC)c(OC)c3)C(O)C2O)cc1OCAglycone:
COc1ccc(C=CC(=O)O)cc1OC.COc1ccc(CCO)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 142.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD09650
Formula: C11H12O4
Smiles:
COc1ccc(C=CC(=O)O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD54230
Formula: C10H14O3
Smiles:
COc1ccc(CCO)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
