Glycoside
GD113185
Name:
NoneFormula:
C37H37O5N3Smiles:
O=c1nc(NCc2ccccc2)ccn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
COCc1ccccc1.O=c1nc(NCc2ccccc2)cc[nH]1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 6.14 | Num_rotatable_bonds: | 14 |
| MolWt: | 603.72 | Num_heavy_atoms: | 45 |
| TPSA: | 83.84 | 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 |
AD29357
Formula: C11H11ON3
Smiles:
O=c1nc(NCc2ccccc2)cc[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 201.23 | Num_heavy_atoms: | 15 |
| TPSA: | 57.78 | NumAromaticRings: | 2 |
