Glycoside
GD005906
Name:
NoneFormula:
C49H61O10N11SSmiles:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1)C(N)=OAglycone:
CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.41 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 25 |
| MolWt: | 996.16 | Num_heavy_atoms: | 71 |
| TPSA: | 314.14 | NumAromaticRings: | 5 |
Unique Aglycone
AD04949
Formula: C44H52O6N11S
Smiles:
CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1)C(N)=O| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.34 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 23 |
| MolWt: | 863.04 | Num_heavy_atoms: | 62 |
| TPSA: | 252.86 | NumAromaticRings: | 4 |
