Glycoside
GD009627
Name:
NoneFormula:
C30H36O12NClSmiles:
CC(=O)Nc1cc(CO[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O[C@@H]3C[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1ClAglycone:
CC(=O)Nc1cc(CO)ccc1Cl.COC(=O)c1ccccc1.OCC1CC(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.06 | Num_heavy_atoms: | 43 |
| TPSA: | 204.47 | NumAromaticRings: | 2 |
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 |
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
