Glycoside
GD030083
Name:
Antiaroside RFormula:
C29H42O12Smiles:
C[C@@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 582.64 | Num_heavy_atoms: | 41 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD19489
Formula: C23H32O7
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
