Glycoside
GD013586
Name:
NoneFormula:
C20H24O10N2Smiles:
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)c2cccnc2)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.NC(=O)c1cccnc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.42 | Num_heavy_atoms: | 32 |
| TPSA: | 156.42 | NumAromaticRings: | 1 |
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 |
AD08243
Formula: C6H6ON2
Smiles:
NC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.13 | Num_heavy_atoms: | 9 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
