Glycoside
GD021160
Name:
NoneFormula:
C20H27O10N5PClSmiles:
CN(CCCCCl)P(=O)(OCc1ccc([N+](=O)[O-])o1)OCC1OC(n2ccc(N)nc2=O)C(O)C1OAglycone:
COP(=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 13 |
| MolWt: | 551.88 | Num_heavy_atoms: | 36 |
| TPSA: | 205.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD14504
Formula: C12H18O6N2PCl
Smiles:
COP(=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl| HBA: | 8 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 340.7 | Num_heavy_atoms: | 21 |
| TPSA: | 95.05 | NumAromaticRings: | 1 |
