Glycoside
GD007992
Name:
NoneFormula:
C26H28O8N8SSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ncnc4c3N=C[N]4)cc2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.63 | Num_heavy_atoms: | 43 |
| TPSA: | 218.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD06440
Formula: C19H16O4N7S
Smiles:
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ncnc4c3N=C[N]4)cc2)cc1| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.45 | Num_heavy_atoms: | 31 |
| TPSA: | 148.77 | NumAromaticRings: | 3 |
