Glycoside
GD029698
Name:
NoneFormula:
C19H22O4N6SSmiles:
O[C@@H]1C(n2cnc3c(NC4CCOC4)ncnc32)O[C@@H](CSc2ccccn2)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CSc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 127.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD01177
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD06637
Formula: C6H7NS
Smiles:
CSc1ccccn1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.2 | Num_heavy_atoms: | 8 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
