Glycoside
GD142785
Name:
4-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,3-dihydro-2-benzofuran-1-oneFormula:
C20H26O12Smiles:
Cc1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c2c1COC2=OAglycone:
Cc1ccc(O)c2c1COC2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.42 | Num_heavy_atoms: | 32 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD57456
Formula: C9H8O3
Smiles:
Cc1ccc(O)c2c1COC2=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
