Glycoside
GD135396
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 2-hydroxy-5-methylbenzoateFormula:
C26H38O18Smiles:
Cc1ccc(O)c(C(=O)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
Cc1ccc(O)c(C(=O)O)c1Sugarmoiety:
OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.73 |
| AlogP: | -5.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.57 | Num_heavy_atoms: | 44 |
| TPSA: | 294.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD54733
Formula: C8H8O3
Smiles:
Cc1ccc(O)c(C(=O)O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
