Glycoside
GD145777
Name:
3-(4-hydroxyphenyl)-5-methoxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C28H32O14Smiles:
COc1cc(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc2occ(-c3ccc(O)cc3)c(=O)c12Aglycone:
COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD21512
Formula: C16H12O5
Smiles:
COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
