Glycoside
GD135640
Name:
AldosecologaninFormula:
C34H46O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=C(C=O)C1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=CAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC=C(C=O)C1C(C(=O)OC)=COC(O)C1C=CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 758.72 | Num_heavy_atoms: | 53 |
| TPSA: | 286.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD54848
Formula: C22H26O9
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC=C(C=O)C1C(C(=O)OC)=COC(O)C1C=C| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
