Glycoside
GD009146
Name:
NoneFormula:
C44H72O11Smiles:
CO[C@@H]1C[C@@H]2[C@H](CC[C@@H]3C[C@H](O[C@@H]4O[C@H](COC(=O)C(C)(C)C)[C@H](O)[C@H](OC(=O)C(C)(C)C)[C@H]4O)CC[C@]32C)[C@@H]2C[C@@H]3O[C@]4(CC[C@H](C)CO4)[C@H](C)[C@H]3[C@]21CAglycone:
CC(C)(C)C(=O)O.COC(=O)C(C)(C)C.COC1CC2C(CCC3CC(O)CCC32C)C2CC3OC4(CCC(C)CO4)C(C)C3C12CSugarmoiety:
OCC1OC(O)C(O)OC1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 777.05 | Num_heavy_atoms: | 55 |
| TPSA: | 139.21 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD07203
Formula: C28H46O4
Smiles:
COC1CC2C(CCC3CC(O)CCC32C)C2CC3OC4(CCC(C)CO4)C(C)C3C12C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
