Glycoside
GD013817
Name:
NoneFormula:
C56H75O13N7Smiles:
COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](NC(=O)CCOC[C@@H]1OC(OCCCNC(=O)[C@H](NC(=O)[C@H](C)N)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(C)CAglycone:
CC(N)C(=O)NC(C(=O)NCCCO)C(C)C.COCCC(=O)NC(C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC)C(C)C.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 29 |
| MolWt: | 1054.25 | Num_heavy_atoms: | 76 |
| TPSA: | 265.23 | NumAromaticRings: | 4 |
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 |
AD00099
Formula: C11H23O3N3
Smiles:
CC(N)C(=O)NC(C(=O)NCCCO)C(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 245.32 | Num_heavy_atoms: | 17 |
| TPSA: | 104.45 | NumAromaticRings: | 0 |
AD00100
Formula: C19H28O6N4
Smiles:
COCCC(=O)NC(C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC)C(C)C| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 408.46 | Num_heavy_atoms: | 29 |
| TPSA: | 134.86 | NumAromaticRings: | 1 |
