Glycoside
GD123068
Name:
{3,4,5-trihydroxy-6-[(5-hydroxy-3-methyl-4-oxo-4H-chromen-7-yl)oxy]oxan-2-yl}methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylateFormula:
C26H32O11Smiles:
Cc1coc2cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc(O)c2c1=OAglycone:
COC(=O)C1=CCC(C(C)(C)O)CC1.Cc1coc2cc(O)cc(O)c2c1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 176.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD04696
Formula: C11H18O3
Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD46273
Formula: C10H8O4
Smiles:
Cc1coc2cc(O)cc(O)c2c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
