Glycoside
GD127609
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(5-methyl-2-oxo-2H-chromen-4-yl)oxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 4-hydroxybenzoateFormula:
C28H30O14Smiles:
Cc1cccc2oc(=O)cc(OC3OC(COC4OCC(O)(COC(=O)c5ccc(O)cc5)C4O)C(O)C(O)C3O)c12Aglycone:
COC(=O)c1ccc(O)cc1.Cc1cccc2oc(=O)cc(O)c12Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.53 | Num_heavy_atoms: | 42 |
| TPSA: | 214.81 | 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 |
AD29404
Formula: C10H8O3
Smiles:
Cc1cccc2oc(=O)cc(O)c12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
