Glycoside
GD011146
Name:
NoneFormula:
C36H60O10Smiles:
CC(C)(O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD08544
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
