Glycoside
GD138020
Name:
3,5-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C26H28O11Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OAglycone:
CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.5 | Num_heavy_atoms: | 37 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD55734
Formula: C20H18O6
Smiles:
CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.36 | Num_heavy_atoms: | 26 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
