Glycoside
GD004779
Name:
NoneFormula:
C42H64O10Smiles:
CC=CC(=O)O[C@@H]1[C@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](C)C[C@@H]7O[C@@]6(C[C@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@H]5CC[C@H]4C2(C)C)OC[C@H](O)[C@H]1OAglycone:
CC(=O)OC(C)(C)C1CC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O.CC=CC(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 728.96 | Num_heavy_atoms: | 52 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD04130
Formula: C33H52O5
Smiles:
CC(=O)OC(C)(C)C1CC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 528.77 | Num_heavy_atoms: | 38 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD04131
Formula: C4H6O2
Smiles:
CC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
