Glycoside
GD108004
Name:
5-hydroxy-4-(pyridine-3-carbonyloxy)-2,5-bis[(pyridine-3-carbonyloxy)methyl]oxolan-3-yl pyridine-3-carboxylateFormula:
C30H24O10N4Smiles:
O=C(OC[C@H]1O[C@](O)(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1Aglycone:
COC(=O)c1cccnc1.COC(=O)c1cccnc1.O=C(O)c1cccnc1.O=C(O)c1cccnc1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 600.54 | Num_heavy_atoms: | 44 |
| TPSA: | 186.22 | NumAromaticRings: | 4 |
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 |
