Glycoside
GD123148
Name:
6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-8-methoxy-2,7-dimethyl-4H-benzo[g]chromen-4-oneFormula:
C27H32O14Smiles:
COc1cc2cc3oc(C)cc(=O)c3c(O)c2c(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c1CAglycone:
COc1cc2cc3oc(C)cc(=O)c3c(O)c2c(O)c1CSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD48569
Formula: C16H14O5
Smiles:
COc1cc2cc3oc(C)cc(=O)c3c(O)c2c(O)c1C| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
