Glycoside
GD008541
Name:
NoneFormula:
C24H31O5N2ClSSmiles:
CC1CCC(Cc2nnc(Cc3cc(C4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)CC1Aglycone:
CC1CCC(Cc2nnc(Cc3ccccc3Cl)s2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 483.03 | Num_heavy_atoms: | 32 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD06813
Formula: C18H21N2ClS
Smiles:
CC1CCC(Cc2nnc(Cc3ccccc3Cl)s2)CC1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.89 | Num_heavy_atoms: | 21 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
