Glycoside
GD102624
Name:
NoneFormula:
C21H23O5N7SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)Nc4ccc(C(C)=O)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CC(=O)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.53 | Num_heavy_atoms: | 34 |
| TPSA: | 163.52 | 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 |
AD43446
Formula: C14H11ON6S
Smiles:
CC(=O)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.35 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
