Glycoside
GD120569
Name:
2-methoxy-6-{2-methoxy-4-[4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenoxy}oxane-3,4,5-triolFormula:
C32H42O16Smiles:
COc1cc(C2OCC3C(c4ccc(OC5OC(OC)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
COC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 682.67 | Num_heavy_atoms: | 48 |
| TPSA: | 224.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD02760
Formula: C20H22O6
Smiles:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
