Glycoside
GD157160
Name:
6-{[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,4aH,10aH-benzo[g]chromen-4-oneFormula:
C26H32O14Smiles:
COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c2c(c1)=CC1OC(C)=CC(=O)C1C=2OAglycone:
COc1cc(O)c2c(c1)=CC1OC(C)=CC(=O)C1C=2OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 214.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD62162
Formula: C15H14O5
Smiles:
COc1cc(O)c2c(c1)=CC1OC(C)=CC(=O)C1C=2O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
