Glycoside
GD139599
Name:
Scammonin VFormula:
C44H76O20Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC3OC(C)C(O)C(O)C3O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)CAglycone:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 925.07 | Num_heavy_atoms: | 64 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD46909
Formula: C38H66O16
Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 778.93 | Num_heavy_atoms: | 54 |
| TPSA: | 229.36 | NumAromaticRings: | 0 |
