Glycoside
GD022005
Name:
NoneFormula:
C23H25O8N9SSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)Nc4ccc(NS(=O)(=O)c5cc(C)on5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ncnc4c3N=C[N]4)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 587.58 | Num_heavy_atoms: | 41 |
| TPSA: | 235.72 | 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 |
AD14970
Formula: C16H13O4N8S
Smiles:
Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ncnc4c3N=C[N]4)cc2)no1| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 413.4 | Num_heavy_atoms: | 29 |
| TPSA: | 165.57 | NumAromaticRings: | 3 |
