Glycoside
GD132782
Name:
Safghanoside FFormula:
C38H48O18Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1OAglycone:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OC.OCCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 15 |
| MolWt: | 792.78 | Num_heavy_atoms: | 56 |
| TPSA: | 280.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD53756
Formula: C19H22O7
Smiles:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
