Glycoside
GD092403
Name:
NoneFormula:
C18H25O4N7SSmiles:
C=CCCCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@H]1OAglycone:
C=CCCCNC(=S)Nc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 435.51 | Num_heavy_atoms: | 30 |
| TPSA: | 146.45 | 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 |
AD40318
Formula: C11H13N6S
Smiles:
C=CCCCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 261.33 | Num_heavy_atoms: | 18 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
