Glycoside
GD014632
Name:
NoneFormula:
C21H30O5N6SSmiles:
O[C@@H]1C(n2cnc3c(NC4CCOC4)ncnc32)O[C@@H](COC(S)=NC2CCCCC2)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COC(S)=NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.58 | Num_heavy_atoms: | 33 |
| 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 |
AD10735
Formula: C8H15ONS
Smiles:
COC(S)=NC1CCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 173.28 | Num_heavy_atoms: | 11 |
| TPSA: | 21.59 | NumAromaticRings: | 0 |
