Glycoside
GD139455
Name:
6,8-dihydroxy-3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dihydronaphthalen-1-oneFormula:
C22H22O9Smiles:
O=C1C=C(c2ccc(O)cc2)Cc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c21Aglycone:
O=C1C=C(c2ccc(O)cc2)Cc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 167.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD48140
Formula: C16H12O4
Smiles:
O=C1C=C(c2ccc(O)cc2)Cc2cc(O)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
