Glycoside
GD093310
Name:
NoneFormula:
C21H31O6NSSmiles:
CCO[C@H]1O[C@@H]([C@@H]2CCC(C)(C)C2)[C@@H](OS(C)(=O)=O)[C@@H]1NC(=O)c1ccccc1Aglycone:
CC1(C)CCCC1.CS(=O)(=O)O.NC(=O)c1ccccc1Sugarmoiety:
CCOC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.55 | Num_heavy_atoms: | 29 |
| TPSA: | 90.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
AD40398
Formula: C7H14
Smiles:
CC1(C)CCCC1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.19 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
