Glycoside
GD017335
Name:
NoneFormula:
C17H19O6N2ClSSmiles:
COc1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
COc1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.86 | Num_heavy_atoms: | 26 |
| TPSA: | 125.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD12376
Formula: C11H9ON2ClS
Smiles:
COc1nnc(Cc2ccccc2Cl)s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.72 | Num_heavy_atoms: | 15 |
| TPSA: | 35.01 | NumAromaticRings: | 2 |
