Glycoside
GD014754
Name:
NoneFormula:
C16H23O6N4PSSmiles:
C=CCn1cnc2c(ncn2[C@@H]2O[C@H](COC)[C@H](OP(C)(O)=S)[C@H]2OC)c1=OAglycone:
C=CCn1cnc2c(c1=O)N=C[N]2.CP(O)(O)=SSugarmoiety:
COCC1OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 430.42 | Num_heavy_atoms: | 28 |
| TPSA: | 109.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD04160
Formula: C8H7ON4
Smiles:
C=CCn1cnc2c(c1=O)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.17 | Num_heavy_atoms: | 13 |
| TPSA: | 61.35 | NumAromaticRings: | 1 |
AD10810
Formula: CH5O2PS
Smiles:
CP(O)(O)=S| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 5 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
