Glycoside
GD125952
Name:
Soulieoside BFormula:
C39H60O11Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C6C(C)CC(C(OC(C)=O)C(C)(C)O)OC6C(=O)C3(C)C5CCC4C2(C)C)OCC(O)C1OAglycone:
CC(=O)OC(C1CC(C)C2C(O1)C(=O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 704.9 | Num_heavy_atoms: | 50 |
| TPSA: | 158.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD14069
Formula: C32H50O6
Smiles:
CC(=O)OC(C1CC(C)C2C(O1)C(=O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
