Glycoside
GD007029
Name:
NoneFormula:
C33H47O16N7Smiles:
O=CN(O)CCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1COC(c2ccccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=N1)C(=O)NCCC(=O)N[C@@H]1CCCN(O)C1=OAglycone:
O=CN(O)CCCC(NC(=O)C(CO)NC(=O)C1COC(c2ccccc2O)=N1)C(=O)NCCC(=O)NC1CCCN(O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -5.4 | Num_rotatable_bonds: | 19 |
| MolWt: | 797.77 | Num_heavy_atoms: | 56 |
| TPSA: | 338.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD05751
Formula: C27H37O11N7
Smiles:
O=CN(O)CCCC(NC(=O)C(CO)NC(=O)C1COC(c2ccccc2O)=N1)C(=O)NCCC(=O)NC1CCCN(O)C1=O| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 16 |
| MolWt: | 635.63 | Num_heavy_atoms: | 45 |
| TPSA: | 259.53 | NumAromaticRings: | 1 |
