Glycoside
GD142380
Name:
Suffruticoside AFormula:
C27H32O16Smiles:
COc1ccc(C(C)=O)c(OC2OC(COC3OCC(O)(COC(=O)c4cc(O)c(O)c(O)c4)C3O)C(O)C(O)C2O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1ccc(C(C)=O)c(O)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
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 |
AD07492
Formula: C9H10O3
Smiles:
COc1ccc(C(C)=O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
