Glycoside
GD007230
Name:
Echoside DFormula:
C25H21O8NSSmiles:
O=C(O)[C@@H]1O[C@H](Oc2c(O)c(-c3ccccc3)c3scnc3c2-c2ccccc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1c(O)c(-c2ccccc2)c2scnc2c1-c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.51 | Num_heavy_atoms: | 35 |
| TPSA: | 149.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD05901
Formula: C19H13O2NS
Smiles:
Oc1c(O)c(-c2ccccc2)c2scnc2c1-c1ccccc1| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.38 | Num_heavy_atoms: | 23 |
| TPSA: | 53.35 | NumAromaticRings: | 4 |
