Glycoside
GD012595
Name:
ERYLOSIDE RFormula:
C38H64O9Smiles:
C[C@H](CCC(C)(O)C(C)(C)C)C1CC[C@]2(C(=O)O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]1CC3Aglycone:
CC(CCC(C)(O)C(C)(C)C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 664.92 | Num_heavy_atoms: | 47 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD03037
Formula: C32H54O4
Smiles:
CC(CCC(C)(O)C(C)(C)C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 7.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.78 | Num_heavy_atoms: | 36 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
