Glycoside
GD018913
Name:
NoneFormula:
C37H55O11N7Smiles:
CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C(O)C(O)C(O)C(O)CO)ccc21Aglycone:
CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)CO)ccc21Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.54 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 22 |
| MolWt: | 773.89 | Num_heavy_atoms: | 55 |
| TPSA: | 297.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD13258
Formula: C31H45O5N7
Smiles:
CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)CO)ccc21| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 595.75 | Num_heavy_atoms: | 43 |
| TPSA: | 193.6 | NumAromaticRings: | 3 |
