Glycoside
GD014082
Name:
NoneFormula:
C33H48O15N8Smiles:
N[C@@H]1[C@H](Oc2ccccc2C2=N[C@H](C(=O)N[C@H](CO)C(=O)N[C@H](CCCN(O)C=O)C(=O)NCCC(=O)N[C@@H]3CCCN(O)C3=O)CO2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=CN(O)CCCC(NC(=O)C(CO)NC(=O)C1COC(c2ccccc2O)=N1)C(=O)NCCC(=O)NC1CCCN(O)C1=OSugarmoiety:
NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.61 |
| AlogP: | -5.43 | Num_rotatable_bonds: | 19 |
| MolWt: | 796.79 | Num_heavy_atoms: | 56 |
| TPSA: | 344.47 | 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 |
