Glycoside
GD153899
Name:
5-hydroxy-3-{[5-hydroxy-4-(hydroxymethyl)-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C36H44O20Smiles:
CC(C)=CCc1c(OC2OC(O)C(O)C(O)C2O)cc(O)c2c(=O)c(OC3OCC(O)C(CO)C3OC3OC(O)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:
OC1OC(O)C(O)C(O)C1O.OCC1C(O)COC(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 796.73 | Num_heavy_atoms: | 56 |
| TPSA: | 328.35 | 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 |
