Glycoside
GD014830
Name:
NoneFormula:
C19H24O8N3PSmiles:
Cc1cccc([C@@H]2CCOP(=O)(OC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@H]3O)O2)c1Aglycone:
COP1(=O)OCCC(c2cccc(C)c2)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.39 | Num_heavy_atoms: | 31 |
| TPSA: | 155.36 | 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 |
AD10861
Formula: C11H15O4P
Smiles:
COP1(=O)OCCC(c2cccc(C)c2)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.21 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
