Glycoside
GD081191
Name:
NoneFormula:
C18H23O8N3Smiles:
CCOC(=O)c1cnc2ccc(OC)nc2c1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CCOC(=O)c1cnc2ccc(OC)nc2c1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.4 | Num_heavy_atoms: | 29 |
| TPSA: | 163.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD36613
Formula: C12H13O3N3
Smiles:
CCOC(=O)c1cnc2ccc(OC)nc2c1N| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.25 | Num_heavy_atoms: | 18 |
| TPSA: | 87.33 | NumAromaticRings: | 2 |
