Glycoside
GD150716
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C33H32O14Smiles:
COc1ccc(C=CC(=O)OCC2OC(Oc3cc(O)c4c(=O)cc(-c5cc(OC)c(O)c(OC)c5)oc4c3)C(O)C(O)C2O)cc1Aglycone:
COC(=O)C=Cc1ccc(OC)cc1.COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.61 | Num_heavy_atoms: | 47 |
| TPSA: | 203.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD08658
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
