Glycoside
GD120264
Name:
{3,4,5-trihydroxy-6-[(7-hydroxy-2-oxo-2H-chromen-6-yl)oxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C22H20O13Smiles:
O=C(OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=c1ccc2cc(O)c(O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.39 | Num_heavy_atoms: | 35 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD03223
Formula: C9H6O4
Smiles:
O=c1ccc2cc(O)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
