Glycoside
GD137784
Name:
Gypenoside XlixFormula:
C52H86O22Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C=O)CC(O)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C=O)CC(O)C(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.94 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 1063.24 | Num_heavy_atoms: | 74 |
| TPSA: | 353.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD55648
Formula: C30H50O5
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C=O)CC(O)C(O)C(C)(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
