Glycoside
GD155979
Name:
10-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-8-methoxy-2-methyl-4H-benzo[h]chromen-4-oneFormula:
C26H30O14Smiles:
COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c2c(c1)cc(O)c1c(=O)cc(C)oc12Aglycone:
COc1cc(O)c2c(c1)cc(O)c1c(=O)cc(C)oc12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD47615
Formula: C15H12O5
Smiles:
COc1cc(O)c2c(c1)cc(O)c1c(=O)cc(C)oc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
