Glycoside
GD132241
Name:
8-hydroxy-3-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C17H22O9Smiles:
CC1Cc2c(COC3OC(CO)C(O)C(O)C3O)ccc(O)c2C(=O)O1Aglycone:
CC1Cc2c(CO)ccc(O)c2C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.35 | Num_heavy_atoms: | 26 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD53531
Formula: C11H12O4
Smiles:
CC1Cc2c(CO)ccc(O)c2C(=O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
