Glycoside
GD153195
Name:
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C26H30O13Smiles:
CC(C)(O)CCc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OAglycone:
CC(C)(O)CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 230.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD60946
Formula: C20H20O8
Smiles:
CC(C)(O)CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
