Glycoside
GD001877
Name:
NoneFormula:
C39H59O10N7Smiles:
CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](NC(=O)C(O)C(O)C(O)C(O)CO)C(C)C)ccc21Aglycone:
CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(N)C(C)C)ccc21Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 22 |
| MolWt: | 785.94 | Num_heavy_atoms: | 56 |
| TPSA: | 277.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD01837
Formula: C33H49O4N7
Smiles:
CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(N)C(C)C)ccc21| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 16 |
| MolWt: | 607.8 | Num_heavy_atoms: | 44 |
| TPSA: | 173.37 | NumAromaticRings: | 3 |
