Glycoside
GD017706
Name:
NoneFormula:
C41H51O9N7Smiles:
CC(=O)N[C@H](CN[C@@H]1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CC(=O)NCCNC1CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)CNC1=OSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.39 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 14 |
| MolWt: | 785.9 | Num_heavy_atoms: | 57 |
| TPSA: | 254.24 | NumAromaticRings: | 4 |
Unique Aglycone
AD12614
Formula: C37H43O5N7
Smiles:
CC(=O)NCCNC1CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)CNC1=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 665.8 | Num_heavy_atoms: | 49 |
| TPSA: | 173.32 | NumAromaticRings: | 4 |
