Glycoside
GD018791
Name:
NoneFormula:
C48H64O16N8Smiles:
C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(N)=O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O)C(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.48 |
| AlogP: | -4.43 | Num_rotatable_bonds: | 23 |
| MolWt: | 1009.08 | Num_heavy_atoms: | 72 |
| TPSA: | 394.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD10199
Formula: C42H54O11N8
Smiles:
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O)C(C)O| HBA: | 19 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.4 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 20 |
| MolWt: | 846.94 | Num_heavy_atoms: | 61 |
| TPSA: | 315.84 | NumAromaticRings: | 3 |
