Glycoside
GD135278
Name:
{3,4,5-trihydroxy-6-[(8-hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy]oxan-2-yl}methyl acetateFormula:
C24H24O11Smiles:
COc1cc(OC2OC(COC(C)=O)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OAglycone:
COC(C)=O.COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.45 | Num_heavy_atoms: | 35 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD07716
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
