Glycoside
GD127521
Name:
(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(4-methoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 3,4-dimethoxybenzoateFormula:
C27H34O14Smiles:
COc1ccc(OC2OC(COC3OCC(O)(COC(=O)c4ccc(OC)c(OC)c4)C3O)C(O)C(O)C2O)cc1Aglycone:
COC(=O)c1ccc(OC)c(OC)c1.COc1ccc(O)cc1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 192.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
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 |
