Glycoside
GD133634
Name:
Arguside DFormula:
C56H88O26Smiles:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(C(=O)CCC(C)(C)OC(C)=O)C8CCC9(C)C7CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(=O)OC(C)(C)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 17 |
| MolWt: | 1177.29 | Num_heavy_atoms: | 82 |
| TPSA: | 395.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD10936
Formula: C32H48O7
Smiles:
CC(=O)OC(C)(C)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
