Glycoside
GD021989
Name:
NoneFormula:
C21H20O5N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccccc4C=O)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#Cc2ccccc2C=O)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.43 | Num_heavy_atoms: | 32 |
| TPSA: | 165.48 | 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 |
AD14962
Formula: C14H8ON5
Smiles:
Nc1nc(C#Cc2ccccc2C=O)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.25 | Num_heavy_atoms: | 20 |
| TPSA: | 95.33 | NumAromaticRings: | 2 |
