Glycoside
GD013851
Name:
NoneFormula:
C23H27O11N3SSmiles:
CCc1c(OC(C)=O)c2c(NC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(SC)nc2oc1=OAglycone:
CCc1c(OC(C)=O)c2c(N)nc(SC)nc2oc1=OSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 553.55 | Num_heavy_atoms: | 38 |
| TPSA: | 182.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD10273
Formula: C12H13O4N3S
Smiles:
CCc1c(OC(C)=O)c2c(N)nc(SC)nc2oc1=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.32 | Num_heavy_atoms: | 20 |
| TPSA: | 108.31 | NumAromaticRings: | 2 |
