Glycoside
GD128442
Name:
Ascleposide BFormula:
C19H30O10Smiles:
CC(O)C=CC1(O)C2(C)CC(OC3OC(CO)C(O)C(O)C3O)CC1(C)C(=O)O2Aglycone:
CC(O)C=CC1(O)C2(C)CC(O)CC1(C)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.44 | Num_heavy_atoms: | 29 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52024
Formula: C13H20O5
Smiles:
CC(O)C=CC1(O)C2(C)CC(O)CC1(C)C(=O)O2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.3 | Num_heavy_atoms: | 18 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
