Glycoside
GD014032
Name:
NoneFormula:
C43H51O14N5Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1Aglycone:
N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 21 |
| MolWt: | 861.9 | Num_heavy_atoms: | 62 |
| TPSA: | 274.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD10392
Formula: C27H31O3N5
Smiles:
N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.22 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 473.58 | Num_heavy_atoms: | 35 |
| TPSA: | 140.33 | NumAromaticRings: | 3 |
