Glycoside
GD037376
Name:
NoneFormula:
C51H56O8N6Smiles:
Cc1ccc(OCCn2cc(COC[C@@H]3O[C@H](OCc4cn(CCOc5ccc(C)cc5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)cc1Aglycone:
COCc1cn(CCOc2ccc(C)cc2)nn1.Cc1ccc(OCCn2cc(CO)nn2)cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 7.86 | Num_rotatable_bonds: | 24 |
| MolWt: | 881.04 | Num_heavy_atoms: | 65 |
| TPSA: | 135.26 | NumAromaticRings: | 7 |
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 |
AD23550
Formula: C13H17O2N3
Smiles:
COCc1cn(CCOc2ccc(C)cc2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 247.3 | Num_heavy_atoms: | 18 |
| TPSA: | 49.17 | NumAromaticRings: | 2 |
AD23551
Formula: C12H15O2N3
Smiles:
Cc1ccc(OCCn2cc(CO)nn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 60.17 | NumAromaticRings: | 2 |
