Glycoside
GD146970
Name:
(3,4,5-trihydroxyoxolan-2-yl)methyl 3-(2',6-dihydroxy-3',5-dimethoxy-5'-{3-oxo-3-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]prop-1-en-1-yl}-[1,1'-biphenyl]-3-yl)prop-2-enoateFormula:
C30H34O16Smiles:
COc1cc(C=CC(=O)OCC2OC(O)C(O)C2O)cc(-c2cc(C=CC(=O)OCC3OC(O)C(O)C3O)cc(OC)c2O)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(-c2cc(C=CC(=O)OC)cc(OC)c2O)c1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.4 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 650.59 | Num_heavy_atoms: | 46 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD54705
Formula: C22H22O8
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(-c2cc(C=CC(=O)OC)cc(OC)c2O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 111.52 | NumAromaticRings: | 2 |
