Glycoside
GD154170
Name:
2-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C35H42O20Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC(C)=O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 782.7 | Num_heavy_atoms: | 55 |
| TPSA: | 303.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| 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 |
