Glycoside
GD151254
Name:
Caryoptosidic AcidFormula:
C16H24O11Smiles:
CC1(O)C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)C(O)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.36 | Num_heavy_atoms: | 27 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD57017
Formula: C10H14O6
Smiles:
CC1(O)C(O)CC2C(C(=O)O)=COC(O)C21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.22 | Num_heavy_atoms: | 16 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
