Glycoside
GD081617
Name:
NoneFormula:
C15H21O8N3SSmiles:
O=C(C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=S(=O)(NC1CCNC1)c1ccccn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 403.41 | Num_heavy_atoms: | 27 |
| TPSA: | 177.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD36722
Formula: C9H13O2N3S
Smiles:
O=S(=O)(NC1CCNC1)c1ccccn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 227.29 | Num_heavy_atoms: | 15 |
| TPSA: | 71.09 | NumAromaticRings: | 1 |
