Glycoside
GD003613
Name:
NoneFormula:
C22H25O12N3P2Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC(c3cccc(Oc4ccccc4)c3)P(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OC(c1cccc(Oc2ccccc2)c1)P(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 585.4 | Num_heavy_atoms: | 39 |
| TPSA: | 233.12 | NumAromaticRings: | 3 |
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 |
AD03265
Formula: C14H16O8P2
Smiles:
COP(=O)(O)OC(c1cccc(Oc2ccccc2)c1)P(=O)(O)O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 374.22 | Num_heavy_atoms: | 24 |
| TPSA: | 122.52 | NumAromaticRings: | 2 |
