Glycoside
GD149378
Name:
Neosedumoside IiiFormula:
C19H28O7Smiles:
CC1(C)CC(=O)C=C2C=C(COC3OC(CO)C(O)C(O)C3O)CCC21Aglycone:
CC1(C)CC(=O)C=C2C=C(CO)CCC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.43 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD59745
Formula: C13H18O2
Smiles:
CC1(C)CC(=O)C=C2C=C(CO)CCC21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.28 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
