Glycoside
GD105019
Name:
NoneFormula:
C25H23O7NSSmiles:
CC(=O)OC[C@H]1O[C@@H](c2cccc3c2c2ccccc2n3S(=O)(=O)c2ccccc2)[C@@H](O)[C@@H]1OAglycone:
COC(C)=O.O=S(=O)(c1ccccc1)n1c2ccccc2c2ccccc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 481.53 | Num_heavy_atoms: | 34 |
| TPSA: | 115.06 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44035
Formula: C18H13O2NS
Smiles:
O=S(=O)(c1ccccc1)n1c2ccccc2c2ccccc21| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 307.37 | Num_heavy_atoms: | 22 |
| TPSA: | 39.07 | NumAromaticRings: | 4 |
