Glycoside
GD029086
Name:
Bryotoxin AFormula:
C32H42O12Smiles:
CC(=O)O[C@@H]1C[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4[C@H](O)C(=O)[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H]1OAglycone:
CC12C(=O)C(O)C3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
CC(=O)OC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 618.68 | Num_heavy_atoms: | 44 |
| TPSA: | 190.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD18959
Formula: C24H30O8
Smiles:
CC12C(=O)C(O)C3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 145.27 | NumAromaticRings: | 1 |
