Glycoside
GD003455
Name:
NoneFormula:
C17H24O5N6SSmiles:
CNC(=S)OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@@](C)(O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CNC(=S)OCSugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.48 | Num_heavy_atoms: | 29 |
| TPSA: | 135.81 | 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 |
AD03145
Formula: C3H7ONS
Smiles:
CNC(=S)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 105.16 | Num_heavy_atoms: | 6 |
| TPSA: | 21.26 | NumAromaticRings: | 0 |
