Glycoside
GD033070
Name:
NoneFormula:
C23H24O5N2S2Smiles:
O=c1c(SCc2ccccc2)c(SCc2ccccc2)cnn1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]ncc(SCc2ccccc2)c1SCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 472.59 | Num_heavy_atoms: | 32 |
| TPSA: | 104.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD21135
Formula: C18H16ON2S2
Smiles:
O=c1[nH]ncc(SCc2ccccc2)c1SCc1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.47 | Num_heavy_atoms: | 23 |
| TPSA: | 45.75 | NumAromaticRings: | 3 |
