Glycoside
GD023502
Name:
NoneFormula:
C21H29O12SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CSC(C(=O)[O-])c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CSC(C(=O)[O-])c1ccccc1Sugarmoiety:
COC1OC(CO)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -3.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 505.52 | Num_heavy_atoms: | 34 |
| TPSA: | 198.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD12515
Formula: C9H9O2S
Smiles:
CSC(C(=O)[O-])c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.24 | Num_heavy_atoms: | 12 |
| TPSA: | 40.13 | NumAromaticRings: | 1 |
