Glycoside
GD108904
Name:
Boivinide BFormula:
C36H54O13Smiles:
CO[C@H]1C[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 694.82 | Num_heavy_atoms: | 49 |
| TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD01563
Formula: C23H32O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
