Glycoside
GD081113
Name:
NoneFormula:
C17H23O7N3SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(-n3cccn3)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(-n2cccn2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.45 | Num_heavy_atoms: | 28 |
| TPSA: | 143.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD36573
Formula: C11H13O3N3S
Smiles:
O=S(=O)(NCCO)c1ccc(-n2cccn2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.31 | Num_heavy_atoms: | 18 |
| TPSA: | 84.22 | NumAromaticRings: | 2 |
