Glycoside
GD100719
Name:
NoneFormula:
C21H24O6N6SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4ccc(C5CC5)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(C2CC2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.53 | Num_heavy_atoms: | 34 |
| TPSA: | 168.56 | NumAromaticRings: | 3 |
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 |
AD42530
Formula: C14H12O2N5S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(C2CC2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.35 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
