Glycoside
GD123757
Name:
Snatzkein FFormula:
C54H84O21Smiles:
CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OC(CO)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 1069.25 | Num_heavy_atoms: | 75 |
| TPSA: | 316.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD03275
Formula: C30H46O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
