Glycoside
GD035433
Name:
NoneFormula:
C14H19O7N7Smiles:
N[C@H](Cc1cn(C[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)nn1)C(=O)NOAglycone:
Cn1cc(CC(N)C(=O)NO)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -4.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 397.35 | Num_heavy_atoms: | 28 |
| TPSA: | 210.61 | 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 |
AD22418
Formula: C6H11O2N5
Smiles:
Cn1cc(CC(N)C(=O)NO)nn1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 185.19 | Num_heavy_atoms: | 13 |
| TPSA: | 106.06 | NumAromaticRings: | 1 |
