Glycoside
GD001825
Name:
NoneFormula:
C21H18O6N2Smiles:
O=c1oc2ccccc2cc1-c1nc2ccccc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1oc2ccccc2cc1C1=Nc2ccccc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 117.95 | NumAromaticRings: | 4 |
Unique Aglycone
AD01786
Formula: C16H9O2N2
Smiles:
O=c1oc2ccccc2cc1C1=Nc2ccccc2[N]1| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 261.26 | Num_heavy_atoms: | 20 |
| TPSA: | 56.67 | NumAromaticRings: | 3 |
