Glycoside
GD017512
Name:
THALICOSIDE A2Formula:
C41H68O13Smiles:
CC(C)=CC[C@H](O)[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@H]4[C@]5(CC[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@]4(C)CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@@]35CC[C@]12CAglycone:
CC(C)=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD12488
Formula: C30H50O4
Smiles:
CC(C)=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
