Glycoside
GD015195
Name:
NoneFormula:
C23H25O9NSSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=NS(=O)(=O)c2ccccc2)[C@H]1OAglycone:
O=S(=O)(N=c1oc2ccccc2cc1CO)c1ccccc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.52 | Num_heavy_atoms: | 34 |
| TPSA: | 148.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD11069
Formula: C16H13O4NS
Smiles:
O=S(=O)(N=c1oc2ccccc2cc1CO)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.35 | Num_heavy_atoms: | 22 |
| TPSA: | 79.87 | NumAromaticRings: | 3 |
