Glycoside
GD036713
Name:
NoneFormula:
C57H56O8N6Smiles:
c1ccc(CO[C@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3cn(CCOc4ccc5ccccc5c4)nn3)O[C@H]2OCc2cn(CCOc3ccc4ccccc4c3)nn2)cc1Aglycone:
COCc1cn(CCOc2ccc3ccccc3c2)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1cn(CCOc2ccc3ccccc3c2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 10 |
| HBD: | 0 | FractionCSP3: | 0.26 |
| AlogP: | 9.55 | Num_rotatable_bonds: | 24 |
| MolWt: | 953.11 | Num_heavy_atoms: | 71 |
| TPSA: | 135.26 | NumAromaticRings: | 9 |
Unique Aglycone
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 |
AD23160
Formula: C16H17O2N3
Smiles:
COCc1cn(CCOc2ccc3ccccc3c2)nn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 283.33 | Num_heavy_atoms: | 21 |
| TPSA: | 49.17 | NumAromaticRings: | 3 |
AD23161
Formula: C15H15O2N3
Smiles:
OCc1cn(CCOc2ccc3ccccc3c2)nn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 269.3 | Num_heavy_atoms: | 20 |
| TPSA: | 60.17 | NumAromaticRings: | 3 |
