Glycoside
GD142897
Name:
tarecilioside mFormula:
C48H78O20Smiles:
CC(CCC(=O)C(C)(C)O)C1C(=O)CC2(C)C3C(O)CC4C(C)(C)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CCC(=O)C(C)(C)O)C1C(=O)CC2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 14 |
| MolWt: | 975.13 | Num_heavy_atoms: | 68 |
| TPSA: | 332.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD57494
Formula: C30H48O5
Smiles:
CC(CCC(=O)C(C)(C)O)C1C(=O)CC2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
