Glycoside
GD022795
Name:
ERYLOSIDE SFormula:
C39H64O10Smiles:
CC(=O)OC(C)(CC[C@H](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]1CC3)C(C)CAglycone:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 692.93 | Num_heavy_atoms: | 49 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD07902
Formula: C33H54O5
Smiles:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 7.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.79 | Num_heavy_atoms: | 38 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
