Glycoside
GD031639
Name:
NoneFormula:
C29H49O15N7Smiles:
CC(=O)N[C@H]1[C@H](OC(C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@H](N)C(=O)O)C(=O)NC(=O)[C@H](C)N)C(=O)O)[C@@H](O)[C@@H](CO)O[C@H]1OAglycone:
CC(N)C(=O)NC(=O)C(CCCC(N)C(=O)O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 1 |
| HBD: | 14 | FractionCSP3: | 0.72 |
| AlogP: | -5.75 | Num_rotatable_bonds: | 20 |
| MolWt: | 735.75 | Num_heavy_atoms: | 51 |
| TPSA: | 368.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD11759
Formula: C21H36O10N6
Smiles:
CC(N)C(=O)NC(=O)C(CCCC(N)C(=O)O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(=O)O| HBA: | 16 | RingCount: | 0 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 16 |
| MolWt: | 532.55 | Num_heavy_atoms: | 37 |
| TPSA: | 280.34 | NumAromaticRings: | 0 |
