Glycoside
GD109394
Name:
NoneFormula:
C25H25O11NSSmiles:
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc2sc(=O)oc2c2ccccc12Aglycone:
COC(C)=O.O=c1oc2c(cc(O)c3ccccc32)s1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 547.54 | Num_heavy_atoms: | 38 |
| TPSA: | 156.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD38157
Formula: C11H6O3S
Smiles:
O=c1oc2c(cc(O)c3ccccc32)s1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 218.23 | Num_heavy_atoms: | 15 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
