Glycoside
GD082014
Name:
NoneFormula:
C16H23O7N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CC(=O)N(c2nccs2)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.44 | Num_heavy_atoms: | 27 |
| TPSA: | 141.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD36825
Formula: C10H13O3N3S
Smiles:
O=C(NCCO)C1CC(=O)N(c2nccs2)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 255.3 | Num_heavy_atoms: | 17 |
| TPSA: | 82.53 | NumAromaticRings: | 1 |
