Glycoside
GD129507
Name:
2-[hydroxy(methoxy)methyl]-3-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-5-methoxy-6-phenoxyoxane-3,4,5-triolFormula:
C28H36O13Smiles:
COc1cc(C2OCC3C2COC3C2(O)C(C(O)OC)OC(Oc3ccccc3)C(O)(OC)C2O)cc(OC)c1OAglycone:
COc1cc(C2OCC3COCC32)cc(OC)c1O.Oc1ccccc1Sugarmoiety:
COC(O)C1OC(O)C(O)(OC)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.58 | Num_heavy_atoms: | 41 |
| TPSA: | 174.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD52459
Formula: C14H18O5
Smiles:
COc1cc(C2OCC3COCC32)cc(OC)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.29 | Num_heavy_atoms: | 19 |
| TPSA: | 57.15 | NumAromaticRings: | 1 |
