Glycoside
GD022712
Name:
NoneFormula:
C26H30O6N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(CC(=O)OC(C)(C)C)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CC(C)(C)OC(=O)Cc1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.56 | Num_heavy_atoms: | 38 |
| TPSA: | 174.71 | 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 |
AD15363
Formula: C19H18O2N5
Smiles:
CC(C)(C)OC(=O)Cc1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.39 | Num_heavy_atoms: | 26 |
| TPSA: | 104.56 | NumAromaticRings: | 2 |
