Glycoside
GD121093
Name:
2-{2,6-dimethoxy-4-[4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenoxy}-6-methoxyoxane-3,4,5-triolFormula:
C33H44O17Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(OC)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
COC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 712.7 | Num_heavy_atoms: | 50 |
| TPSA: | 233.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD08446
Formula: C21H24O7
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
