Glycoside
GD131520
Name:
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-4H-chromen-4-oneFormula:
C26H30O12Smiles:
CC(C)(CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 210.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD07309
Formula: C20H20O7
Smiles:
CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
