Glycoside
GD023002
Name:
ERYLOSIDE F1Formula:
C42H68O12Smiles:
C=C(CC[C@H](C)[C@@H]1CC[C@]2(C(=O)O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]1CC3)C(C)CAglycone:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 764.99 | Num_heavy_atoms: | 54 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD05182
Formula: C31H50O3
Smiles:
C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 7.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |