Glycoside
GD022076
Name:
NoneFormula:
C16H23O7N4PSmiles:
C=CCn1cnc2c(ncn2[C@@H]2O[C@H](COC)[C@H](OP(C)(=O)O)[C@H]2OC)c1=OAglycone:
C=CCn1cnc2c(c1=O)N=C[N]2.CP(=O)(O)OSugarmoiety:
COCC1OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 414.36 | Num_heavy_atoms: | 28 |
| TPSA: | 126.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD00991
Formula: CH5O3P
Smiles:
CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
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 |
