Glycoside
GD015548
Name:
NoneFormula:
C33H54O11Smiles:
CC(C)(CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 626.78 | Num_heavy_atoms: | 44 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD11288
Formula: C27H44O6
Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.64 | Num_heavy_atoms: | 33 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
