Glycoside
GD134417
Name:
Patrinoviloside BFormula:
C60H96O27Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(C(=O)OC5OC(COC6OC(CO)C(OC7OCC(O)(CO)C7O)C(O)C6O)C(O)C(O)C5O)CCC34C)C2(C)C)OCC(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)(CO)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 10 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 15 |
| MolWt: | 1249.4 | Num_heavy_atoms: | 87 |
| TPSA: | 418.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD03055
Formula: C30H48O3
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD07796
CC(=O)OC1C(O)OCC(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)(CO)C1O