Glycoside
GD010826
Name:
NoneFormula:
C43H70O10Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](COC(=O)C(C)(C)C)[C@H](O)[C@H](OC(=O)C(C)(C)C)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2CAglycone:
CC(C)(C)C(=O)O.CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.COC(=O)C(C)(C)CSugarmoiety:
OCC1OC(O)C(O)OC1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 6.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 747.02 | Num_heavy_atoms: | 53 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD01572
Formula: C27H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD03091
Formula: C5H10O2
Smiles:
CC(C)(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03093
Formula: C6H12O2
Smiles:
COC(=O)C(C)(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
