Glycoside
GD025196
Name:
NoneFormula:
C24H27O9NSSmiles:
Cc1cc(O)c2c(c1)C([C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cccc(O)c1C2=NC(CS)C(=O)OAglycone:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=NC(CS)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 505.55 | Num_heavy_atoms: | 35 |
| TPSA: | 180.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD16737
Formula: C18H17O4NS
Smiles:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=NC(CS)C(=O)O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.4 | Num_heavy_atoms: | 24 |
| TPSA: | 90.12 | NumAromaticRings: | 2 |
