Glycoside
GD016286
Name:
NoneFormula:
C18H32O13Smiles:
CC(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCC(=O)O)[C@H]1OAglycone:
CC(O)C(C)O.O=C(O)COSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -3.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 456.44 | Num_heavy_atoms: | 31 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD11750
Formula: C4H10O2
Smiles:
CC(O)C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
