Glycoside
GD020282
Name:
NoneFormula:
C17H18O8N6Smiles:
CN(N=O)C(=O)Nc1ccc(NC(=O)C2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)cc1Aglycone:
CN(N=O)C(=O)Nc1ccc(NC=O)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.37 | Num_heavy_atoms: | 31 |
| TPSA: | 195.42 | 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 |
AD14031
Formula: C9H10O3N4
Smiles:
CN(N=O)C(=O)Nc1ccc(NC=O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.2 | Num_heavy_atoms: | 16 |
| TPSA: | 90.87 | NumAromaticRings: | 1 |
