Glycoside
GD026256
Name:
NoneFormula:
C32H55O12SSmiles:
CC(C)[C@H](CC[C@H](C)[C@@H]1C[C@H](OS(=O)(=O)[O-])[C@@H]2[C@@H]3[C@H](O)[C@H](O)C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C)OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)[O-])C2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 663.85 | Num_heavy_atoms: | 45 |
| TPSA: | 206.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD17320
Formula: C27H47O8S
Smiles:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)[O-])C2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 531.73 | Num_heavy_atoms: | 36 |
| TPSA: | 147.35 | NumAromaticRings: | 0 |
