Glycoside
GD145316
Name:
(3,4,5-trihydroxy-6-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C24H26O14Smiles:
COc1cc(C=CC(=O)OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(C=CC(=O)O)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.46 | Num_heavy_atoms: | 38 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
