Glycoside
GD026983
Name:
NoneFormula:
C32H31O5N3Smiles:
O=c1nccc2n([C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccn12Aglycone:
COCc1ccccc1.O=c1nccc2n1C=C[N]2.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 537.62 | Num_heavy_atoms: | 40 |
| TPSA: | 76.22 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD17078
Formula: C6H4ON3
Smiles:
O=c1nccc2n1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 48.99 | NumAromaticRings: | 1 |
