Glycoside
GD151594
Name:
9-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g]chromen-7-oneFormula:
C28H36O16Smiles:
COc1c2ccoc2c(OCC(O)C(C)(C)OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c2oc(=O)ccc12Aglycone:
COc1c2ccoc2c(OCC(O)C(C)(C)O)c2oc(=O)ccc12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 628.58 | Num_heavy_atoms: | 44 |
| TPSA: | 240.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD47739
Formula: C17H18O7
Smiles:
COc1c2ccoc2c(OCC(O)C(C)(C)O)c2oc(=O)ccc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 102.27 | NumAromaticRings: | 3 |
