Glycoside
GD018367
Name:
GLUNICATEFormula:
C36H28O10N6Smiles:
O=C(N[C@@H]1[C@H](OC(=O)c2cccnc2)O[C@H](COC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1Aglycone:
COC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C(O)c1cccnc1.O=C(O)c1cccnc1.O=C(O)c1cccnc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 704.65 | Num_heavy_atoms: | 52 |
| TPSA: | 207.98 | NumAromaticRings: | 5 |
Unique Aglycone
AD05813
Formula: C7H7O2N
Smiles:
COC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 39.19 | NumAromaticRings: | 1 |
AD07870
Formula: C6H5O2N
Smiles:
O=C(O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.19 | NumAromaticRings: | 1 |
AD08243
Formula: C6H6ON2
Smiles:
NC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.13 | Num_heavy_atoms: | 9 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
