Glycoside
GD002430
Name:
NoneFormula:
C21H21O5N7Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C(N)=O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.NC(=O)c1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 451.44 | Num_heavy_atoms: | 33 |
| TPSA: | 191.5 | 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 |
AD02327
Formula: C14H9ON6
Smiles:
NC(=O)c1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 277.27 | Num_heavy_atoms: | 21 |
| TPSA: | 121.35 | NumAromaticRings: | 2 |
