Glycoside
GD135204
Name:
2-({6-[(3,8-dihydroxy-5-methoxy-9-oxo-9H-xanthen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4,5-dihydroxyoxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C35H36O18Smiles:
COc1cc(C=CC(=O)OC2C(OCC3OC(Oc4cc(O)cc5oc6c(OC)ccc(O)c6c(=O)c45)C(O)C(O)C3O)OCC(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1ccc(O)c2c(=O)c3c(O)cc(O)cc3oc12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 744.66 | Num_heavy_atoms: | 53 |
| TPSA: | 273.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD54439
Formula: C14H10O6
Smiles:
COc1ccc(O)c2c(=O)c3c(O)cc(O)cc3oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
