Glycoside
GD149410
Name:
Protoceratin IiiFormula:
C61H92O25S2Smiles:
C=CCC(=C)C=CC(C)(O)C1OC2CC3OC4CC5OC6CC7OC8CC9OC%10CC%11OC(C)(CCCOS(=O)(=O)O)C(OS(=O)(=O)O)CC%11OC%10CC9OC8CCC7(C)OC6(C)CCC(C)C5OC4C(OC4OC(CO)C(O)C4O)C3(C)OC2CC1=CAglycone:
C=CCC(=C)C=CC(C)(O)C1OC2CC3OC4CC5OC6CC7OC8CC9OC%10CC%11OC(C)(CCCOS(=O)(=O)O)C(OS(=O)(=O)O)CC%11OC%10CC9OC8CCC7(C)OC6(C)CCC(C)C5OC4C(O)C3(C)OC2CC1=CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 12 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 15 |
| MolWt: | 1289.52 | Num_heavy_atoms: | 88 |
| TPSA: | 328.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD59464
Formula: C56H84O21S2
Smiles:
C=CCC(=C)C=CC(C)(O)C1OC2CC3OC4CC5OC6CC7OC8CC9OC%10CC%11OC(C)(CCCOS(=O)(=O)O)C(OS(=O)(=O)O)CC%11OC%10CC9OC8CCC7(C)OC6(C)CCC(C)C5OC4C(O)C3(C)OC2CC1=C| HBA: | 21 | RingCount: | 11 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 5.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 1157.4 | Num_heavy_atoms: | 79 |
| TPSA: | 269.19 | NumAromaticRings: | 0 |
