Glycoside
GD091440
Name:
NoneFormula:
C18H25O4N7SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NC4CCCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.S=C(Nc1ncnc2c1N=C[N]2)NC1CCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 5 |
| 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 |
AD39896
Formula: C11H13N6S
Smiles:
S=C(Nc1ncnc2c1N=C[N]2)NC1CCCC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.33 | Num_heavy_atoms: | 18 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
