Glycoside
GD019709
Name:
MONILOSIDE BFormula:
C33H54O8Smiles:
CO[C@@H]1[C@H](O[C@@H]2CC[C@]3(C)C4=CC[C@]5(C)[C@H]([C@H](C)CC[C@H](O)C(C)C)C[C@H](O)[C@H]5C4=CC[C@H]3[C@H]2O)OC[C@H](O)[C@H]1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3=CCC4C(O)C(O)CCC4(C)C3=CCC12CSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.79 | Num_heavy_atoms: | 41 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD13723
Formula: C27H44O4
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3=CCC4C(O)C(O)CCC4(C)C3=CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
