Glycoside
GD145513
Name:
(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C22H26O12Smiles:
COc1cc(C(=O)OCc2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)cc(OC)c1OAglycone:
COc1cc(C(=O)OCc2ccc(O)c(O)c2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD58408
Formula: C16H16O7
Smiles:
COc1cc(C(=O)OCc2ccc(O)c(O)c2)cc(OC)c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
