Glycoside
GD155543
Name:
Alternoside IiFormula:
C50H80O20Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12COC1OC(C)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12COSugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.92 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 1001.17 | Num_heavy_atoms: | 70 |
| TPSA: | 321.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD23537
Formula: C32H52O5
Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
