Glycoside
GD132130
Name:
3Beta-Hydroxysolanascone Beta-SophorosideFormula:
C27H42O12Smiles:
CC1C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2CC3(C)C4CCC1(C4)C23CAglycone:
CC1C(O)C(=O)C2CC3(C)C4CCC1(C4)C23CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 558.62 | Num_heavy_atoms: | 39 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD53492
Formula: C15H22O2
Smiles:
CC1C(O)C(=O)C2CC3(C)C4CCC1(C4)C23C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
