Glycoside
GD024021
Name:
NoneFormula:
C43H72O21N10Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O)C(C)CAglycone:
CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.77 |
| AlogP: | -9.43 | Num_rotatable_bonds: | 25 |
| MolWt: | 1065.1 | Num_heavy_atoms: | 74 |
| TPSA: | 474.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD16086
Formula: C29H49O11N9
Smiles:
CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(=O)O| HBA: | 20 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.69 |
| AlogP: | -5.23 | Num_rotatable_bonds: | 18 |
| MolWt: | 699.76 | Num_heavy_atoms: | 49 |
| TPSA: | 307.56 | NumAromaticRings: | 0 |
