Glycoside
GD012889
Name:
NoneFormula:
C23H27O8N9SSmiles:
CCNC(O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNCO.Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ncnc4c3N=C[N]4)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 589.59 | Num_heavy_atoms: | 41 |
| TPSA: | 238.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD09678
Formula: C3H9ON
Smiles:
CCNCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 75.11 | Num_heavy_atoms: | 5 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
AD09679
Formula: C16H13O4N8S
Smiles:
Cc1cc(NS(=O)(=O)c2ccc(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 |
