Glycoside
GD012601
Name:
NoneFormula:
C24H24O7N2SSmiles:
COc1c(Cc2nnc(-c3ccco3)s2)cc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc12Aglycone:
COc1c(Cc2nnc(-c3ccco3)s2)ccc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.53 | Num_heavy_atoms: | 34 |
| TPSA: | 138.3 | NumAromaticRings: | 4 |
Unique Aglycone
AD09487
Formula: C18H14O2N2S
Smiles:
COc1c(Cc2nnc(-c3ccco3)s2)ccc2ccccc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.39 | Num_heavy_atoms: | 23 |
| TPSA: | 48.15 | NumAromaticRings: | 4 |
