Glycoside
GD147159
Name:
4-(5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)phenyl acetateFormula:
C23H22O12Smiles:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD48141
Formula: C17H12O7
Smiles:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.28 | Num_heavy_atoms: | 24 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
