Glycoside
GD133836
Name:
Sapimukoside EFormula:
C54H88O20Smiles:
CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)CCC4(C)C3CCC12CAglycone:
CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 1057.28 | Num_heavy_atoms: | 74 |
| TPSA: | 294.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD48112
Formula: C32H52O3
Smiles:
CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 7.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.77 | Num_heavy_atoms: | 35 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
