Glycoside
GD140319
Name:
2-(3,4-Dihydroxyphenyl)Ethanol; 3',4'-Di-Me Ether, 1-O-[3,4-Dimethoxy-E-Cinnamoyl-(->4)-[E-Cinnamoyl-(->6)]-β-D-Glucopyranoside]Formula:
C36H40O12Smiles:
COc1ccc(C=CC(=O)OC2C(COC(=O)C=Cc3ccccc3)OC(OCCc3ccc(OC)c(OC)c3)C(O)C2O)cc1OCAglycone:
COC(=O)C=Cc1ccccc1.COc1ccc(C=CC(=O)O)cc1OC.COc1ccc(CCO)cc1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 15 |
| MolWt: | 664.7 | Num_heavy_atoms: | 48 |
| TPSA: | 148.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
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 |
