Glycoside
GD023168
Name:
CALOPOROSIDEFormula:
C40H64O17Smiles:
CC(=O)O[C@H](C(=O)O[C@H](C)CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O)[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(C)=OAglycone:
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)OSugarmoiety:
CC(=O)OC(C(=O)OO)C(O)C(O)C(CO)OC1OC(CO)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 28 |
| MolWt: | 816.94 | Num_heavy_atoms: | 57 |
| TPSA: | 276.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD15612
Formula: C24H40O3
Smiles:
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 7.5 | Num_rotatable_bonds: | 17 |
| MolWt: | 376.58 | Num_heavy_atoms: | 27 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
