Glycoside
GD032024
Name:
NoneFormula:
C32H44O15N2SSmiles:
CS[C@@H]1O[C@H](COC2O[C@H](OC([C@H](O)CO)[C@H](O)[C@H](NC(C)=O)C(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](NC(=O)c2ccc3ccccc3c2)[C@H]1OAglycone:
CSC1OC(CO)C(O)C(NC(=O)c2ccc3ccccc3c2)C1OSugarmoiety:
CC(=O)NC(C(C)=O)C(O)C(OC1OC(O)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -3.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 728.77 | Num_heavy_atoms: | 50 |
| TPSA: | 274.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD14258
Formula: C18H21O5NS
Smiles:
CSC1OC(CO)C(O)C(NC(=O)c2ccc3ccccc3c2)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.44 | Num_heavy_atoms: | 25 |
| TPSA: | 99.02 | NumAromaticRings: | 2 |
