Glycoside
GD015897
Name:
Bruceantinoside CFormula:
C36H48O18Smiles:
COC(=O)[C@@]12OC[C@@]34[C@H]([C@H](O)[C@H]1O)[C@]1(C)C(=O)C(O[C@@H]5OC(CO)[C@H](O)[C@H](O)[C@H]5O)=C[C@H](C)[C@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C(C)(C)OC(C)=O)[C@H]24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C=C(O)C(=O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)OC(C)=O)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 768.76 | Num_heavy_atoms: | 54 |
| TPSA: | 271.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD11499
Formula: C30H38O13
Smiles:
COC(=O)C12OCC34C(CC5C(C)C=C(O)C(=O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)OC(C)=O)C24| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 606.62 | Num_heavy_atoms: | 43 |
| TPSA: | 192.19 | NumAromaticRings: | 0 |
