Glycoside
GD036960
Name:
NoneFormula:
C57H76O10N6Smiles:
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)Cn1cc(COC[C@@H]2O[C@H](OCc3cn(CC(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1Aglycone:
CC1CCC(C(C)C)C(OC(=O)Cn2cc(CO)nn2)C1.COCc1cn(CC(=O)OC2CC(C)CCC2C(C)C)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 9.09 | Num_rotatable_bonds: | 24 |
| MolWt: | 1005.27 | Num_heavy_atoms: | 73 |
| TPSA: | 169.4 | NumAromaticRings: | 5 |
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 |
AD23304
Formula: C15H25O3N3
Smiles:
CC1CCC(C(C)C)C(OC(=O)Cn2cc(CO)nn2)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.38 | Num_heavy_atoms: | 21 |
| TPSA: | 77.24 | NumAromaticRings: | 1 |
AD23305
Formula: C16H27O3N3
Smiles:
COCc1cn(CC(=O)OC2CC(C)CCC2C(C)C)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.81 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 309.41 | Num_heavy_atoms: | 22 |
| TPSA: | 66.24 | NumAromaticRings: | 1 |
