Glycoside
GD030604
Name:
NoneFormula:
C22H24O7N3ClSmiles:
O=c1n(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nc2ccc(CCO)cn12Aglycone:
O=c1n(Cc2ccccc2Cl)nc2ccc(CCO)cn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.89 | Num_heavy_atoms: | 32 |
| TPSA: | 149.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD19801
Formula: C16H14O2N3Cl
Smiles:
O=c1n(Cc2ccccc2Cl)nc2ccc(CCO)cn12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 303.75 | Num_heavy_atoms: | 21 |
| TPSA: | 59.53 | NumAromaticRings: | 3 |
