Glycoside
GD008411
Name:
NoneFormula:
C41H42O20NFSmiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](NC(=O)OCc2cc(F)ccc2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2cc(F)ccc2O)C(O)C(C)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 887.77 | Num_heavy_atoms: | 63 |
| TPSA: | 334.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD06719
Formula: C35H34O14NF
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2cc(F)ccc2O)C(O)C(C)O1| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 711.65 | Num_heavy_atoms: | 51 |
| TPSA: | 238.61 | NumAromaticRings: | 3 |
