Glycoside
GD115068
Name:
Safghanoside EFormula:
C38H48O19Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)Oc1ccc(CCOC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)Oc1ccc(CCO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 15 |
| MolWt: | 808.78 | Num_heavy_atoms: | 57 |
| TPSA: | 301.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD45454
Formula: C26H28O9
Smiles:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)Oc1ccc(CCO)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.5 | Num_heavy_atoms: | 35 |
| TPSA: | 142.75 | NumAromaticRings: | 2 |
