Glycoside
GD004573
Name:
NoneFormula:
C25H28O11N2SSmiles:
C=CCN1C(=O)C(=Cc2ccco2)N=C1SC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
C=CCN1C(=O)C(=Cc2ccco2)N=C1S.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.57 | Num_heavy_atoms: | 39 |
| TPSA: | 160.24 | NumAromaticRings: | 1 |
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 |
AD03974
Formula: C11H10O2N2S
Smiles:
C=CCN1C(=O)C(=Cc2ccco2)N=C1S| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.28 | Num_heavy_atoms: | 16 |
| TPSA: | 45.81 | NumAromaticRings: | 1 |
