Glycoside
GD013408
Name:
NoneFormula:
C19H25O13N3P2Smiles:
COC(=O)c1cccc(CON=c2ccn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)[nH]2)c1Aglycone:
COC(=O)c1cccc(CON=c2cc[nH]c(=O)[nH]2)c1.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 565.37 | Num_heavy_atoms: | 37 |
| TPSA: | 239.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD10009
Formula: C13H13O4N3
Smiles:
COC(=O)c1cccc(CON=c2cc[nH]c(=O)[nH]2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 275.26 | Num_heavy_atoms: | 20 |
| TPSA: | 96.54 | NumAromaticRings: | 2 |
