Glycoside
GD149418
Name:
3,5,7-trihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-methyl-4H-chromen-4-oneFormula:
C22H22O12Smiles:
Cc1c(O)cc2oc(-c3ccc(OC4OC(CO)C(O)C(O)C4O)c(O)c3)c(O)c(=O)c2c1OAglycone:
Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 210.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD59757
Formula: C16H12O7
Smiles:
Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
