Glycoside
GD145912
Name:
{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-{[3-(2-hydroxy-4,5-dimethoxyphenyl)-5,6-dimethoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxolan-3-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C39H42O19Smiles:
COc1cc(O)c(-c2coc3cc(OC4OC(COC5OCC(O)(COC(=O)C=Cc6ccc(O)cc6)C5O)C(O)C(O)C4O)c(OC)c(OC)c3c2=O)cc1OCAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(O)c(-c2coc3cc(O)c(OC)c(OC)c3c2=O)cc1OCSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 14 |
| MolWt: | 814.75 | Num_heavy_atoms: | 58 |
| TPSA: | 271.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD55326
Formula: C19H18O8
Smiles:
COc1cc(O)c(-c2coc3cc(O)c(OC)c(OC)c3c2=O)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
