Glycoside
GD157147
Name:
1-(3,4-dihydroxyphenyl)-3-hydroxy-9-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonan-5-oneFormula:
C27H36O11Smiles:
O=C(CC(O)CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(CC(O)CCc1ccc(O)cc1)CC(O)CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 13 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 197.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD62157
Formula: C21H26O6
Smiles:
O=C(CC(O)CCc1ccc(O)cc1)CC(O)CCc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
