Glycoside
GD022497
Name:
SINULAROSIDE BFormula:
C36H58O8Smiles:
C=C(CC[C@H](C)[C@@H]1CC[C@H]([C@@H]2CC=C3C[C@H](O[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]4O)CC[C@@]3(C)C2=O)[C@@]1(C)CCO)C(C)CAglycone:
C=C(CCC(C)C1CCC(C2CC=C3CC(O)CCC3(C)C2=O)C1(C)CCO)C(C)CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD02414
Formula: C28H46O3
Smiles:
C=C(CCC(C)C1CCC(C2CC=C3CC(O)CCC3(C)C2=O)C1(C)CCO)C(C)C| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
