Glycoside
GD034691
Name:
NoneFormula:
C25H20O4N2Cl2SSmiles:
OC[C@@H]1OC(n2c(SCc3ccccc3)nc3cc4cc(Cl)c(Cl)cc4cc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2cc3c(cc2cc1Cl)N=C(SCc1ccccc1)[N]3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 491.4 | Num_heavy_atoms: | 32 |
| TPSA: | 87.74 | NumAromaticRings: | 4 |
Unique Aglycone
AD22022
Formula: C20H11N2Cl2S
Smiles:
Clc1cc2cc3c(cc2cc1Cl)N=C(SCc1ccccc1)[N]3| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 358.27 | Num_heavy_atoms: | 23 |
| TPSA: | 26.46 | NumAromaticRings: | 3 |
