Glycoside
GD075061
Name:
NoneFormula:
C16H21O7N3SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3nccnc3c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc2nccnc2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.43 | Num_heavy_atoms: | 27 |
| TPSA: | 151.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD34742
Formula: C10H11O3N3S
Smiles:
O=S(=O)(NCCO)c1ccc2nccnc2c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.28 | Num_heavy_atoms: | 17 |
| TPSA: | 92.18 | NumAromaticRings: | 2 |
