Glycoside
GD008495
Name:
NoneFormula:
C21H22O7N3ClSmiles:
O=c1n(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nc2ccc(CO)cn12Aglycone:
O=c1n(Cc2ccccc2Cl)nc2ccc(CO)cn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.86 | Num_heavy_atoms: | 31 |
| TPSA: | 149.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD06778
Formula: C15H12O2N3Cl
Smiles:
O=c1n(Cc2ccccc2Cl)nc2ccc(CO)cn12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.72 | Num_heavy_atoms: | 20 |
| TPSA: | 59.53 | NumAromaticRings: | 3 |
