Glycoside
GD138742
Name:
Ardimerin DigallateFormula:
C42H40O28Smiles:
COc1c(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc2c(c1O)OC(=O)c1cc(OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O)c(OC)c(O)c1OC2=OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COC(=O)c1cc(O)c(O)c(O)c1.COc1c(O)cc2c(c1O)OC(=O)c1cc(O)c(OC)c(O)c1OC2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.33 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 992.75 | Num_heavy_atoms: | 70 |
| TPSA: | 443.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD55973
Formula: C16H12O10
Smiles:
COc1c(O)cc2c(c1O)OC(=O)c1cc(O)c(OC)c(O)c1OC2=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.26 | Num_heavy_atoms: | 26 |
| TPSA: | 151.98 | NumAromaticRings: | 2 |
