Glycoside
GD118682
Name:
{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}oxan-2-yl)methoxy]oxolan-3-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C44H54O21Smiles:
COc1cc(C=CC(=O)OCC2(O)COC(OCC3OC(Oc4c(OC)cc(C5OCC6C(c7cc(OC)c(O)c(OC)c7)OCC56)cc4OC)C(O)C(O)C3O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 17 |
| MolWt: | 918.9 | Num_heavy_atoms: | 65 |
| TPSA: | 278.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD02930
Formula: C22H26O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
