Glycoside
GD037244
Name:
NoneFormula:
C25H34O12Smiles:
C[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1OC(=O)C=C2[C@@]13O[C@H]3[C@@H]1OC(=O)[C@@]3(C)[C@@H](O)CC[C@]2(C)[C@@H]13Aglycone:
CC(CO)C1OC(=O)C=C2C3(C)CCC(O)C4(C)C(=O)OC(C34)C3OC213Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 526.54 | Num_heavy_atoms: | 37 |
| TPSA: | 184.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD23475
Formula: C19H24O7
Smiles:
CC(CO)C1OC(=O)C=C2C3(C)CCC(O)C4(C)C(=O)OC(C34)C3OC213| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.39 | Num_heavy_atoms: | 26 |
| TPSA: | 105.59 | NumAromaticRings: | 0 |
