Glycoside
GD027361
Name:
NoneFormula:
C39H59O10N7Smiles:
CC[C@H](C)[C@H](NC(=O)C(O)C(O)C(O)C(O)CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CCCCN)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)C(C)CAglycone:
CCC(C)C(N)C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)C(C)CSugarmoiety:
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
AD17989
Formula: C33H49O4N7
Smiles:
CCC(C)C(N)C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)C(C)C| 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 |
