Glycoside
GD118933
Name:
Suffruticoside DFormula:
C27H32O16Smiles:
COc1ccc(C(C)=O)c(OC2OC(OCC3OCC(O)C(O)C3O)C(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C2O)c1Aglycone:
COc1ccc(C(C)=O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1COC(COC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | 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 |
