Glycoside
GD006454
Name:
NoneFormula:
C31H33O12N2ClSSmiles:
O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1S[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1SSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.4 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 681.12 | Num_heavy_atoms: | 46 |
| TPSA: | 223.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD05346
Formula: C19H13O2N2ClS
Smiles:
O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1S| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.83 | Num_heavy_atoms: | 24 |
| TPSA: | 54.6 | NumAromaticRings: | 3 |
