Glycoside
GD013912
Name:
NoneFormula:
C28H29O10N2ClSSmiles:
C=CCN1C(=O)C(=Cc2ccc(Cl)cc2)N=C1SC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
C=CCN1C(=O)C(=Cc2ccc(Cl)cc2)N=C1S.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 609.05 | Num_heavy_atoms: | 41 |
| TPSA: | 147.1 | 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 |
AD10313
Formula: C14H11ON2ClS
Smiles:
C=CCN1C(=O)C(=Cc2ccc(Cl)cc2)N=C1S| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.76 | Num_heavy_atoms: | 18 |
| TPSA: | 32.67 | NumAromaticRings: | 1 |
