Glycoside
GD090326
Name:
NoneFormula:
C18H21O10NSSmiles:
COC(=O)c1sc2cc(OC)c(OC)cc2c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
COC(=O)c1sc2cc(OC)c(OC)cc2c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 443.43 | Num_heavy_atoms: | 30 |
| TPSA: | 171.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD39319
Formula: C12H13O4NS
Smiles:
COC(=O)c1sc2cc(OC)c(OC)cc2c1N| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 267.31 | Num_heavy_atoms: | 18 |
| TPSA: | 70.78 | NumAromaticRings: | 2 |
