Glycoside
GD097479
Name:
NoneFormula:
C21H25O11N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc3c(n2)NC(=O)CO3)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1ccc2c(n1)NC(=O)CO2Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 495.44 | Num_heavy_atoms: | 35 |
| TPSA: | 177.68 | 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 |
AD41461
Formula: C7H7O2N3
Smiles:
Nc1ccc2c(n1)NC(=O)CO2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.24 | NumAromaticRings: | 1 |
