Glycoside
GD110084
Name:
Esculentoside BFormula:
C36H56O11Smiles:
COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD03249
Formula: C31H48O7
Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 532.72 | Num_heavy_atoms: | 38 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
