Glycoside
GD122711
Name:
(3,4-dihydroxy-6-{4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methyl acetateFormula:
C34H44O16Smiles:
COc1cc(C2OCC3C(c4ccc(OC5OC(COC(C)=O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1OAglycone:
COC(C)=O.COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 708.71 | Num_heavy_atoms: | 50 |
| TPSA: | 221.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
