Glycoside
GD021933
Name:
NoneFormula:
C23H24O6N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#Cc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.48 | Num_heavy_atoms: | 35 |
| TPSA: | 185.71 | 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 |
AD14927
Formula: C16H12O2N5
Smiles:
Nc1nc(C#Cc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.3 | Num_heavy_atoms: | 23 |
| TPSA: | 115.56 | NumAromaticRings: | 2 |
