Glycoside
GD125875
Name:
Thalicoside A3Formula:
C41H68O13Smiles:
CC(C1CCC(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(C1CCC(C)(C)O1)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: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD50465
Formula: C30H50O4
Smiles:
CC(C1CCC(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
