Glycoside
GD080995
Name:
NoneFormula:
C16H21O8N5Smiles:
CC(C)(C)OC(=O)c1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1Aglycone:
CC(C)(C)OC(=O)C1=C[N]N=N1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.37 | Num_heavy_atoms: | 29 |
| TPSA: | 181.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD28746
Formula: C7H10O2N3
Smiles:
CC(C)(C)OC(=O)C1=C[N]N=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.18 | Num_heavy_atoms: | 12 |
| TPSA: | 65.12 | NumAromaticRings: | 0 |
