Glycoside
GD152280
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[4-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-2-methoxyphenoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoateFormula:
C38H44O18Smiles:
COc1cc(C=CC(=O)OCc2ccc(OC3OC(COC4OCC(O)(COC(=O)c5ccc(OC)c(OC)c5)C4O)C(O)C(O)C3O)c(OC)c2)ccc1OAglycone:
COC(=O)c1ccc(OC)c(OC)c1.COc1cc(C=CC(=O)OCc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 16 |
| MolWt: | 788.75 | Num_heavy_atoms: | 56 |
| TPSA: | 247.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD13182
Formula: C10H12O4
Smiles:
COC(=O)c1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
AD60649
Formula: C18H18O6
Smiles:
COc1cc(C=CC(=O)OCc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
