Glycoside
GD124461
Name:
5-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-7-hydroxy-2-methyl-4H-chromen-4-oneFormula:
C21H26O13Smiles:
Cc1cc(=O)c2c(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)cc2o1Aglycone:
Cc1cc(=O)c2c(O)cc(O)cc2o1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.43 | Num_heavy_atoms: | 34 |
| TPSA: | 208.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD05146
Formula: C10H8O4
Smiles:
Cc1cc(=O)c2c(O)cc(O)cc2o1| 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 |
