Glycoside
GD006256
Name:
Caratuberside CFormula:
C51H76O16Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6[C@H]5C[C@H](OC(=O)c5ccccc5)[C@]5(C)[C@H]([C@H](C)OC(C)=O)CC[C@]65O)C4)C[C@H]3OC)C[C@@H]2OC)[C@@H]1OAglycone:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 945.15 | Num_heavy_atoms: | 67 |
| TPSA: | 196.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD05192
Formula: C30H40O6
Smiles:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.64 | Num_heavy_atoms: | 36 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
