Glycoside
GD034280
Name:
NoneFormula:
C35H50O12N11FSSmiles:
N=C(N)NCCC[C@@H]1NC(=O)[C@H](CSCc2cn(CCO[C@@H]3O[C@H](CF)[C@H](O)[C@H](O)[C@H]3O)nn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=OAglycone:
N=C(N)NCCCC1NC(=O)C(CSCc2cn(CCO)nn2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=OSugarmoiety:
OC1OC(CF)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -4.65 | Num_rotatable_bonds: | 17 |
| MolWt: | 867.91 | Num_heavy_atoms: | 60 |
| TPSA: | 354.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD21808
Formula: C29H41O8N11S
Smiles:
N=C(N)NCCCC1NC(=O)C(CSCc2cn(CCO)nn2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -3.45 | Num_rotatable_bonds: | 14 |
| MolWt: | 703.78 | Num_heavy_atoms: | 49 |
| TPSA: | 295.64 | NumAromaticRings: | 2 |
