Glycoside
GD024403
Name:
NoneFormula:
C19H29O11N6P2ClSmiles:
CC(C)(CNC(=O)CCl)COP(=O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)OCC(C)(C)CNC(=O)CCl.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 602.86 | Num_heavy_atoms: | 38 |
| TPSA: | 261.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD16292
Formula: C10H20O7NP2Cl
Smiles:
COP(=O)(O)CP(=O)(O)OCC(C)(C)CNC(=O)CCl| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 351.66 | Num_heavy_atoms: | 20 |
| TPSA: | 122.16 | NumAromaticRings: | 0 |
