Glycoside
GD108272
Name:
NoneFormula:
C36H54O13NSmiles:
CCCC[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H]([NH3+])[C@@H]2O)C[C@H]2O[C@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@H](O)C[C@@H]2O[C@@H]2/C=C/C(=O)O1Aglycone:
CCCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C([NH3+])C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 708.82 | Num_heavy_atoms: | 50 |
| TPSA: | 232.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD03509
Formula: C30H42O10
Smiles:
CCCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 166.28 | NumAromaticRings: | 0 |
