Glycoside
GD111356
Name:
NoneFormula:
C35H37O11N3Smiles:
CC(=O)N[C@H]1[C@H](O/N=C2\C(=O)N(CCCOc3cccc4ccccc34)c3ccccc32)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C1C(=NO)c2ccccc2N1CCCOc1cccc2ccccc12Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 675.69 | Num_heavy_atoms: | 49 |
| TPSA: | 168.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44710
Formula: C21H18O3N2
Smiles:
O=C1C(=NO)c2ccccc2N1CCCOc1cccc2ccccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 346.39 | Num_heavy_atoms: | 26 |
| TPSA: | 62.13 | NumAromaticRings: | 3 |
