Glycoside
GD001300
Name:
NoneFormula:
C37H37O13NCl2Smiles:
CC(=O)Nc1cc(CO[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O[C@@H]3OC4CO[C@H](c5ccc(Cl)cc5)OC4[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1ClAglycone:
CC(=O)Nc1cc(CO)ccc1Cl.COC(=O)c1ccccc1.OC1OC2COC(c3ccc(Cl)cc3)OC2C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 750.58 | Num_heavy_atoms: | 51 |
| TPSA: | 191.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01335
Formula: C10H10O2NCl
Smiles:
CC(=O)Nc1cc(CO)ccc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 199.64 | Num_heavy_atoms: | 13 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
AD01336
Formula: C14H15O6Cl
Smiles:
OC1OC2COC(c3ccc(Cl)cc3)OC2C(O)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.71 | Num_heavy_atoms: | 20 |
| TPSA: | 88.38 | NumAromaticRings: | 1 |
