Glycoside
GD108748
Name:
NoneFormula:
C27H28O11N2Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](/N=C\c2ccc(OC(=O)c3cccnc3)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.N=Cc1ccc(OC(=O)c2cccnc2)cc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.37 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 165.98 | NumAromaticRings: | 2 |
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 |
AD44467
Formula: C13H10O2N2
Smiles:
N=Cc1ccc(OC(=O)c2cccnc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.24 | Num_heavy_atoms: | 17 |
| TPSA: | 63.04 | NumAromaticRings: | 2 |
