Glycoside
GD145818
Name:
2-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}propan-2-yl)-4-methoxy-7-methyl-2H,3H,5H-furo[3,2-g]chromen-5-oneFormula:
C27H36O14Smiles:
COc1c2c(cc3oc(C)cc(=O)c13)OC(C(C)(C)OC1OC(COC3OCC(O)(CO)C3O)C(O)C(O)C1O)C2Aglycone:
COc1c2c(cc3oc(C)cc(=O)c13)OC(C(C)(C)O)C2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.57 | Num_heavy_atoms: | 41 |
| TPSA: | 206.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD04066
Formula: C16H18O5
Smiles:
COc1c2c(cc3oc(C)cc(=O)c13)OC(C(C)(C)O)C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 21 |
| TPSA: | 68.9 | NumAromaticRings: | 2 |
