Glycoside
GD145768
Name:
8-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-oneFormula:
C26H36O15Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C(O)Cc1c(OC2OC(CO)C(O)C(O)C2O)ccc2ccc(=O)oc12Aglycone:
CC(C)(O)C(O)Cc1c(O)ccc2ccc(=O)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 588.56 | Num_heavy_atoms: | 41 |
| TPSA: | 249.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD55491
Formula: C14H16O5
Smiles:
CC(C)(O)C(O)Cc1c(O)ccc2ccc(=O)oc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
