Glycoside
GD121007
Name:
{6-[(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl hydrogen oxalateFormula:
C22H24O12Smiles:
COc1cc(OC2OC(COC(=O)C(=O)O)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COC(=O)C(=O)O.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.42 | Num_heavy_atoms: | 34 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD15787
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
AD48494
Formula: C3H4O4
Smiles:
COC(=O)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 104.06 | Num_heavy_atoms: | 7 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
