Glycoside
GD128877
Name:
3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-oneFormula:
C31H36O14Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(OC3OCC(O)C(O)C3OC3OC(C)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc12Aglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 632.62 | Num_heavy_atoms: | 45 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD09118
Formula: C20H18O6
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| 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 |
