Glycoside
GD018447
Name:
NoneFormula:
C26H30O6N2SSmiles:
NS(=O)(=O)N[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
COCc1ccccc1.NS(N)(=O)=O.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 498.6 | Num_heavy_atoms: | 35 |
| TPSA: | 109.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD03347
Formula: H4O2N2S
Smiles:
NS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 86.18 | NumAromaticRings: | 0 |
