Glycoside
GD011952
Name:
NoneFormula:
C24H22O5N2SSmiles:
O=c1[nH]c(=S)c(C2c3ccccc3C=Cc3ccccc32)cn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cc(C2c3ccccc3C=Cc3ccccc32)c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.52 | Num_heavy_atoms: | 32 |
| TPSA: | 107.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD04823
Formula: C19H14ON2S
Smiles:
O=c1[nH]cc(C2c3ccccc3C=Cc3ccccc32)c(=S)[nH]1| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.4 | Num_heavy_atoms: | 23 |
| TPSA: | 48.65 | NumAromaticRings: | 3 |
