Glycoside
GD129517
Name:
3-hydroxy-5,7-dimethoxy-3-(4-methoxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-inden-1-oneFormula:
C24H28O11Smiles:
COc1ccc(C2(O)c3cc(OC)cc(OC)c3C(=O)C2OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(C2(O)c3cc(OC)cc(OC)c3C(=O)C2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD52460
Formula: C18H18O6
Smiles:
COc1ccc(C2(O)c3cc(OC)cc(OC)c3C(=O)C2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
