Glycoside
GD156998
Name:
Scrophoside AFormula:
C38H62O11Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC12CAglycone:
CC(=O)OC(C)(C)CCC(=O)C(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 694.9 | Num_heavy_atoms: | 49 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD62113
Formula: C32H52O6
Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
