Glycoside
GD081131
Name:
NoneFormula:
C17H21O9NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3oc(=O)ccc3c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=c1ccc2cc(S(=O)(=O)NCCO)ccc2o1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.42 | Num_heavy_atoms: | 28 |
| TPSA: | 155.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD36584
Formula: C11H11O5NS
Smiles:
O=c1ccc2cc(S(=O)(=O)NCCO)ccc2o1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.28 | Num_heavy_atoms: | 18 |
| TPSA: | 96.61 | NumAromaticRings: | 2 |
