Glycoside
GD000517
Name:
Nomilim-GlucosideFormula:
C34H46O15Smiles:
CC(=O)O[C@@H]1CC(=O)OC(C)(C)C2CC(=O)[C@]3(C)C(CC[C@](C)([C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c4ccoc4)[C@]34O[C@H]4C(=O)O)[C@]21CAglycone:
CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC(C)(C(O)c4ccoc4)C34OC4C(=O)O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 694.73 | Num_heavy_atoms: | 49 |
| TPSA: | 232.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD00572
Formula: C28H36O10
Smiles:
CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC(C)(C(O)c4ccoc4)C34OC4C(=O)O)C12C| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.59 | Num_heavy_atoms: | 38 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
