Glycoside
GD128766
Name:
Gypenoside XlviiiFormula:
C53H88O22Smiles:
CC(C)=CCCC(O)(COC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C=O)CCC(OC4OCC(O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(O)(CO)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(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: | -1.36 | Num_rotatable_bonds: | 16 |
| MolWt: | 1077.27 | Num_heavy_atoms: | 75 |
| TPSA: | 353.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD11861
Formula: C30H50O4
Smiles:
CC(C)=CCCC(O)(CO)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
