Glycoside
GD120462
Name:
Triplostoside AFormula:
C35H52O20Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC(OC)OCAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC(OC)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 14 |
| MolWt: | 792.78 | Num_heavy_atoms: | 55 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD48397
Formula: C23H32O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC(OC)OC| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
