Glycoside
GD023456
Name:
NoneFormula:
C18H26O5N6SSmiles:
CC(C)N=C(S)OC[C@@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COC(S)=NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.51 | Num_heavy_atoms: | 30 |
| TPSA: | 136.14 | NumAromaticRings: | 2 |
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 |
AD15770
Formula: C5H11ONS
Smiles:
COC(S)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.22 | Num_heavy_atoms: | 8 |
| TPSA: | 21.59 | NumAromaticRings: | 0 |
