Glycoside
GD033528
Name:
NoneFormula:
C23H24O6N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NOC)nc(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CONc1nc(C#Cc2ccc(C(C)=O)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.48 | Num_heavy_atoms: | 35 |
| TPSA: | 160.72 | 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 |
AD09660
Formula: C16H12O2N5
Smiles:
CONc1nc(C#Cc2ccc(C(C)=O)cc2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.31 | Num_heavy_atoms: | 23 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
