Glycoside
GD031086
Name:
ERYLOSIDE TFormula:
C38H62O9Smiles:
C[C@H](CCC(C)(O)C(C)(C)C)C1CC[C@]23C(=O)O[C@@]4(CC[C@]12C)C3=CC[C@@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]14CAglycone:
CC(CCC(C)(O)C(C)(C)C)C1CCC23C(=O)OC4(CCC12C)C3=CCC1C(C)(C)C(O)CCC14CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 662.91 | Num_heavy_atoms: | 47 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD20058
Formula: C32H52O4
Smiles:
CC(CCC(C)(O)C(C)(C)C)C1CCC23C(=O)OC4(CCC12C)C3=CCC1C(C)(C)C(O)CCC14C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.76 | Num_heavy_atoms: | 36 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
