Glycoside
GD033625
Name:
NoneFormula:
C59H56O6N6Smiles:
c1ccc(CO[C@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3cn(C(c4ccccc4)c4ccccc4)nn3)O[C@H]2OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1Aglycone:
COCc1cn(C(c2ccccc2)c2ccccc2)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1cn(C(c2ccccc2)c2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 10 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 10.36 | Num_rotatable_bonds: | 22 |
| MolWt: | 945.13 | Num_heavy_atoms: | 71 |
| TPSA: | 116.8 | 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 |
AD21448
Formula: C17H17ON3
Smiles:
COCc1cn(C(c2ccccc2)c2ccccc2)nn1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 279.34 | Num_heavy_atoms: | 21 |
| TPSA: | 39.94 | NumAromaticRings: | 3 |
AD21449
Formula: C16H15ON3
Smiles:
OCc1cn(C(c2ccccc2)c2ccccc2)nn1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 265.32 | Num_heavy_atoms: | 20 |
| TPSA: | 50.94 | NumAromaticRings: | 3 |
