Glycoside
GD154622
Name:
6-[(2-{[6,8-dihydroxy-3-(4-hydroxyphenyl)-1-oxo-1,4-dihydronaphthalen-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl acetateFormula:
C36H44O19Smiles:
CC(=O)OC1C(C)OC(OC2C(OC3=C(c4ccc(O)cc4)Cc4cc(O)cc(O)c4C3=O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1OAglycone:
O=C1C(O)=C(c2ccc(O)cc2)Cc2cc(O)cc(O)c21Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 780.73 | Num_heavy_atoms: | 55 |
| TPSA: | 301.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD45923
Formula: C16H12O5
Smiles:
O=C1C(O)=C(c2ccc(O)cc2)Cc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
