Glycoside
GD024344
Name:
NoneFormula:
C37H45O11N5Smiles:
N=C(NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCC(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)CCC(=O)NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 16 |
| MolWt: | 735.79 | Num_heavy_atoms: | 53 |
| TPSA: | 259.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD16264
Formula: C32H37O6N5
Smiles:
COC(=O)CCC(=O)NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 587.68 | Num_heavy_atoms: | 43 |
| TPSA: | 169.71 | NumAromaticRings: | 3 |
