Glycoside
GD129268
Name:
[4-({6-[({3,4-dihydroxy-4-[(4-hydroxybenzoyloxy)methyl]oxolan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-methoxyphenyl]methyl 3,4-dimethoxybenzoateFormula:
C35H40O17Smiles:
COc1ccc(C(=O)OCc2ccc(OC3OC(COC4OCC(O)(COC(=O)c5ccc(O)cc5)C4O)C(O)C(O)C3O)c(OC)c2)cc1OCAglycone:
COC(=O)c1ccc(O)cc1.COc1cc(COC(=O)c2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 732.69 | Num_heavy_atoms: | 52 |
| TPSA: | 238.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD52370
Formula: C17H18O6
Smiles:
COc1cc(COC(=O)c2ccc(OC)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.32 | Num_heavy_atoms: | 23 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
