Glycoside
GD036905
Name:
NoneFormula:
C37H27O17N4P2Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])O[C@H](c3cccc(NC(=O)c4ccc(C(=O)[O-])c(-c5c6ccc(=O)cc-6oc6cc([O-])ccc56)c4)c3)P(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)([O-])OC(c1cccc(NC(=O)c2ccc(C(=O)[O-])c(-c3c4ccc(=O)cc-4oc4cc([O-])ccc34)c2)c1)P(=O)([O-])[O-].Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.16 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 861.58 | Num_heavy_atoms: | 60 |
| TPSA: | 354.88 | NumAromaticRings: | 4 |
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 |
AD23266
Formula: C29H18O13NP2
Smiles:
COP(=O)([O-])OC(c1cccc(NC(=O)c2ccc(C(=O)[O-])c(-c3c4ccc(=O)cc-4oc4cc([O-])ccc34)c2)c1)P(=O)([O-])[O-]| HBA: | 14 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 650.41 | Num_heavy_atoms: | 45 |
| TPSA: | 244.28 | NumAromaticRings: | 3 |
