Glycoside
GD098100
Name:
NoneFormula:
C18H27O5N7S2Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCCC[S@@](C)=O)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.CS(=O)CCCCNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 485.59 | Num_heavy_atoms: | 32 |
| TPSA: | 163.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD38800
Formula: C11H15ON6S2
Smiles:
CS(=O)CCCCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 311.42 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
